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List of works by Daan Frenkel

A Monte Carlo simulation study of the two‐dimensional melting mechanism

article

A Systematic Optimization Scheme for Configurational Bias Monte Carlo

article

A computer simulation investigation into the stability of theAB2superlattice in a binary hard sphere system

article

A far infrared study of the Ar–HCl van der Waals molecule

A finite-cluster phase in λ-DNA-coated colloids

scientific article published on 01 May 2007

A general theory of DNA-mediated and other valence-limited colloidal interactions

scientific article

A parameter-free, solid-angle based, nearest-neighbor algorithm

scientific article published in June 2012

A review of immune amplification via ligand clustering by self-assembled liquid-crystalline DNA complexes

scientific article published on 19 February 2016

A simple lattice model that captures protein folding, aggregation and amyloid formation

scientific article published on 15 January 2014

Ab InitioMolecular Dynamics with Excited Electrons

scientific article published in Physical Review Letters

Ab initio calculation of the sound velocity of dense hydrogen: implications for models of Jupiter

scientific article published on September 1995

Ab initioMolecular Dynamics Simulation of Laser Melting of Silicon

scientific article published in Physical Review Letters

Accounting for Protein-Solvent Contacts Facilitates Design of Nonaggregating Lattice Proteins ⬇️

scientific article published on February 2, 2011

Accounting for adsorption and desorption in lattice Boltzmann simulations

scientific article published on 19 July 2013

Accuracy of Enskog theory for rotational versus translational motion: A molecular-dynamics study

article

Addressing hysteresis and slow equilibration issues in cavity-based calculation of chemical potentials

scientific article published on 01 July 2018

Algebraic Decay of Velocity Fluctuations in a Confined Fluid

scientific article published in Physical Review Letters

Algebraic decay of velocity fluctuations near a wall

scholarly article by I. Pagonabarraga et al published 1 December 1998 in Physical Review E

An enhanced version of the heat exchange algorithm with excellent energy conservation properties ⬇️

scientific article published in September 2015

An explicit expression for finite-size corrections to the chemical potential

article

Anomalous diffusion in the nematic phase of thin disks

scientific article published on 01 April 1992

Anomalous phase behavior of liquid–vapor phase transition in binary mixtures of DNA-coated particles

Application of lattice-gas cellular automata to the Brownian motion of solids in suspension

scientific article published in Physical Review Letters

Application of the optimized Baxter model to the hard-core attractive Yukawa system

scientific article published on 01 November 2006

Applications to Soft Matter: general discussion

Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles

Breakdown of Classical Nucleation Theory near Isostructural Phase Transitions

scientific article published in Physical Review Letters

Breakdown of the law of rectilinear diameter and related surprises in the liquid-vapor coexistence in systems of patchy particles

scientific article published on 01 June 2019

COLLOIDAL SYSTEMS: Playing Tricks with Designer "Atoms"

scientific article published in Science

Calculation of ion scattering yields from simulated crystal surfaces: theory and application to melting and non-melting Al surfaces

article

Calculation of liquid-crystal Frank constants by computer simulation

scientific article published on 01 March 1988

Calculation of partial enthalpies of an argon-krypton mixture by NPT molecular dynamics

article

Calculation of solid-fluid phase equilibria for systems of chain molecules

Calculation of the chemical potential in the Gibbs ensemble

article

Calculation of the melting point of NaCl by molecular simulation

article published in 2003

Calculation of the water-octanol partition coefficient of cholesterol for SPC, TIP3P, and TIP4P water

scientific article published on 01 December 2018

Can stacking faults in hard-sphere crystals anneal out spontaneously?

Chromatin Unfolding by Epigenetic Modifications Explained by Dramatic Impairment of Internucleosome Interactions: A Multiscale Computational Study

scientific article

Coarse-grained simulations of charge, current and flow in heterogeneous media

scientific article published in January 2010

Coil-Globule Transition in Gas-Liquid Nucleation of Polar Fluids

scientific article published in Physical Review Letters

Collective ordering of colloids in grafted polymer layers

article

Colloidal crystals full of invisible vacancies ⬇️

scientific article published on October 17, 2012

Colloidal self-assembly: designed to yield

scientific article published on June 2011

Colloids dispersed in polymer solutions. A computer simulation study

Comment on ``Novel Monte Carlo Approach to the Dynamics of Fluids: Single-Particle Diffusion, Correlation Functions, and Phase Ordering of Binary Fluids''

scientific article published in Physical Review Letters

Comment on ‘‘Determination of the chemical potential of polymeric systems from Monte Carlo simulations’’

scientific article published in Physical Review Letters

Communication: A simple analytical formula for the free energy of ligand–receptor-mediated interactions

article

Communication: Evidence for non-ergodicity in quiescent states of periodically sheared suspensions. ⬇️

scientific article published on December 2015

Communication: Simple approach for calculating the binding free energy of a multivalent particle ⬇️

scientific article published in April 2016

Communication: theoretical prediction of free-energy landscapes for complex self-assembly ⬇️

scientific article published in January 2015

Comparing theory and simulation for thermo-osmosis

scientific article published on 01 September 2019

Comparison of simple perturbation-theory estimates for the liquid–solid and the liquid–vapor interfacial free energies of Lennard-Jones systems

article

Competition of Percolation and Phase Separation in a Fluid of Adhesive Hard Spheres

scientific article published in Physical Review Letters

Computation challenges in complex liquids: Entropy-driven phase transitions

Computation of partial enthalpies of various Lennard-Jones model mixtures by NPT molecular dynamics

article

Computational design of probes to detect bacterial genomes by multivalent binding

scientific article published on 02 April 2020

Computational methodology for solubility prediction: Application to sparingly soluble organic/inorganic materials

Computational methodology for solubility prediction: Application to the sparingly soluble solutes

scientific article published on June 2017

Computer Simulations of Freezing and Supercooled Liquids

Computer simulation of colloid-polymer mixtures

Computer simulation of crystal nucleation of parallel hard spherocylinders

Computer simulation of hard-core models for liquid crystals

Computer simulation of hard-core models for liquid crystals

article

Computer simulation of polymer-induced clustering of colloids

scientific article published in Physical Review Letters

Computer simulation of solid-liquid coexistence in binary hard sphere mixtures

Computer simulation of solid-liquid coexistence in binary hard-sphere mixtures

Computer simulation of the phase behavior of a model membrane protein: Annexin V

Computer simulation studies of static and dynamical scaling in dilute solutions of excluded-volume polymers

Computer simulation study of free energy barriers in crystal nucleation

Computer simulation study of gas–liquid nucleation in a Lennard-Jones system

Computer simulations in the Gibbs ensemble

Computer simulations of long-time tails: What's new?

scholarly article by Martin A. van der Hoef & Daan Frenkel published July 1995 in Transport Theory and Statistical Physics

Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling

scientific article published on 01 September 2007

Conference Reports

Configurational bias Monte Carlo: a new sampling scheme for flexible chains

article

Confinement free energy of semiflexible polymers

Connecting macroscopic observables and microscopic assembly events in amyloid formation using coarse grained simulations

scientific article

Consistent Treatment of Hydrophobicity in Protein Lattice Models Accounts for Cold Denaturation ⬇️

scientific article published in Physical Review Letters

Constant-Pressure Monte Carlo Simulations for Lattice Models

Continuous Freezing in Three Dimensions

scientific article published in Physical Review Letters

Controlling the temperature sensitivity of DNA-mediated colloidal interactions through competing linkages

article by B. M. Mognetti et al published 2012 in Soft Matter

Correction

Biophysical Journal; August 2011

Crucial role of nonspecific interactions in amyloid nucleation. ⬇️

scientific article

Crystal Nucleation of Colloidal Suspensions under Shear

scientific article published in Physical Review Letters

Crystallization of a polymer on a surface

article

Crystallization of weakly charged colloidal spheres: a numerical study

Cubatic phase for tetrapods

scientific article

DNA brick self-assembly with an off-lattice potential ⬇️

article

Demixing in hard ellipsoid rod-plate mixtures

Density dependence of the pressure induced shift of HCl rotational lines perturbed by argon

Density functional approach to helium at finite temperature

article

Depletion effects in binary hard-sphere fluids

Design Rule for Colloidal Crystals of DNA-Functionalized Particles

scientific article published in Physical Review Letters

Design principles for broad-spectrum protein-crystal nucleants with nanoscale pits

scientific article published on 8 November 2010

Designing multivalent probes for tunable superselective targeting

scientific article published on 21 April 2015

Designing ordered DNA-linked nanoparticle assemblies

Designing refoldable model molecules

article

Designing specificity of protein-substrate interactions

Designing stimulus-sensitive colloidal walkers

scientific article published on 20 March 2014

Designing super selectivity in multivalent nano-particle binding

scientific article

Determination of phase diagrams for the hard‐core attractive Yukawa system

article

Determination of potential energy surfaces for Ar–HCl and Kr–HCl from rotational linebroadening data

Deviations from Fick's law in Lorentz gases

Diffusion of brownian particles in the isotropic phase of a nematic liquid crystal

Direct Determination of the Size of Basins of Attraction of Jammed Solids

scientific article published in Physical Review Letters

Direct measurement of correlation functions in a lattice Lorentz gas

scientific article published on 01 August 1990

Direct simulation of phase equilibria of chain molecules

article published in 1992

Discotic liquid crystals Physical parameters of some 2,3,7,8,12,13-hexa(alkanoyloxy)truxenes. Observation of a re-entrant isotropic phase in a pure disc-like mesogen

Discrete solution of the electrokinetic equations

scientific article published in July 2004

Dislocation Unbinding in Dense Two-Dimensional Crystals

scientific article published in Physical Review Letters

Disordered flanks prevent peptide aggregation

scientific article

Dispersion of charged tracers in charged porous media

Dissipative hydrodynamic interactions via lattice‐gas cellular automata

article

Dissipative particle dynamics for interacting systems

article

Do Hydrodynamic Dispersion Coefficients Exist?

scientific article published in Physical Review Letters

Do cylinders exhibit a cubatic phase?

Does C60 have a liquid phase?

scientific article published in Nature

Dynamic light scattering near the isotropic-blue phase transition of cholesteryl-oleylcarbonate

Dynamic pruned-enriched Rosenbluth method

Dynamical heterogeneity in a glass-forming ideal gas

Dynamics of the Frederiks transition in nematics consisting of disc-like molecules Thermal dependence of a bend viscosity coefficient

article

Editorial

Effect of Inert Tails on the Thermodynamics of DNA Hybridization

scientific article published in 2014

Effect of Metastable Liquid−Liquid Demixing on the Morphology of Nucleated Polymer Crystals

Effect of Nutrient Diffusion and Flow on Coral Morphology

scientific article published in Physical Review Letters

Effect of the Coil−Globule Transition on the Free-Energy Barrier for Intrachain Crystal Nucleation†

Effect of the interaction strength and anisotropy on the diffusio-phoresis of spherical colloids

scientific article published on 26 February 2020

Effects of co-ordination number on the nucleation behaviour in many-component self-assembly ⬇️

Elastic constants of hard and soft nematic liquid crystals

Elastic constants of hard-sphere crystals

scientific article published in Physical Review Letters

Enhanced protein crystallization around the metastable critical point

Enhanced stability of layered phases in parallel hard spherocylinders due to addition of hard spheres

article

Enhancement of Protein Crystal Nucleation by Critical Density Fluctuations

scientific article published in Science

Entropy difference between crystal phases

scientific article published in Nature

Entropy-driven formation of a superlattice in a hard-sphere binary mixture

scientific article published in Nature

Entropy-driven phase transitions

Erratum: Calculation of liquid-crystal Frank constants by computer simulation

scientific article

Erratum: “Phase diagram of Hertzian spheres” [J. Chem. Phys. 131, 044514 (2009)]

scientific article published on 01 October 2009

Error analysis and correction for Lattice Boltzmann simulated flow conductance in capillaries of different shapes and alignments

Evidence for Out-of-Equilibrium Crystal Nucleation in Suspensions of Oppositely Charged Colloids

scientific article published in Physical Review Letters

Evidence for Smectic Order in a Fluid of Hard Parallel Spherocylinders

scientific article published in Physical Review Letters

Evidence for Universal Asymptotic Decay of Velocity Fluctuations in Lorentz Gases

article

Evidence for algebraic orientational order in a two-dimensional hard-core nematic

article

Evidence for an Orientationally Ordered Two-Dimensional Fluid Phase from Molecular-Dynamics Calculations

scientific article published in Physical Review Letters

Evidence for entropy-driven demixing in hard-core fluids

scientific article published in Physical Review Letters

Evidence for faster-than-t−1decay of the velocity autocorrelation function in a 2D fluid

scientific article published in Physical Review Letters

Evidence for one-, two-, and three-dimensional order in a system of hard parallel spherocylinders

article

Experimental and calculated cross sections for pressure broadening of pure rotational Raman lines of HCl

Extended corresponding-states behavior for particles with variable range attractions

article published in 2000

Extended mode coupling and simulations in cellular-automata fluids

article

Field-induced self-assembly of suspended colloidal membranes

scientific article published on 24 November 2009

Finite-size corrections to the chemical potential

article by J I Siepmann et al published 20 January 1992 in Journal of Physics: Condensed Matter

Finite-size corrections to the free energies of crystalline solids

First-order nematic-smectic phase transition for hard spherocylinders in the limit of infinite aspect ratio

article by James M. Polson & Daan Frenkel published 1 December 1997 in Physical Review E

Fluid–fluid coexistence in colloidal systems with short-ranged strongly directional attraction

Folding Proteins One Loop at a Time

scientific article

Force barriers for membrane tube formation

scientific article published in Physical Review Letters

Forward flux sampling-type schemes for simulating rare events: Efficiency analysis

article

Free energy barrier to melting of single-chain polymer crystallite

article published in 2003

Free energy calculations for solid solutions by computer simulations

Free energy changes on freezing and melting ductile metals

article

Free-energy-based method for step size detection of processive molecular motors

scientific article published on 20 April 2010

From lattice gases to polymers

article

Gas-solid coexistence of adhesive spheres

article published in 2007

Geometrical frustration: A study of four-dimensional hard spheres

Gibbs, Boltzmann, and negative temperatures ⬇️

Grand‐canonical simulations of solvated ideal fermions. Evidence for phase separation

article

Harvesting graphics power for MD simulations

High-pressure diamondlike liquid carbon

scholarly article in Physical Review B, vol. 69 no. 10, March 2004

Homogeneous Bubble Nucleation Driven by Local Hot Spots: A Molecular Dynamics Study†

article

Homogeneous nucleation and the Ostwald step rule

article by Pieter Rein ten Wolde & Daan Frenkel published 1999 in Physical Chemistry Chemical Physics

Homogeneous nucleation of colloidal melts under the influence of shearing fields

Homogeneous nucleation under shear in a two-dimensional Ising model: cluster growth, coalescence, and breakup

scientific article published in October 2008

Hot Nanoparticles in Polar or Paramagnetic Liquids Interact as Monopoles

Hot electrons and the approach to metallic behaviour in Kx(KCl)1 −x

Infinitely thin disks exhibit a first order nematic-columnar phase transition

article by Martin A. Bates & Daan Frenkel published 1 April 1998 in Physical Review E

Influence of polydispersity on the phase behavior of colloidal liquid crystals: A Monte Carlo simulation study

Influence of vacancies on the melting transition of hard disks in two dimensions

scientific article published on 01 May 2000

Interpretation of dipole correlation functions in some liquid systems

Interview with Daan Frenkel, Boltzmann Medallist 2016 : Simulating soft matter through the lens of statistical mechanics

scientific article

Intracellular Release of Endocytosed Nanoparticles Upon a Change of Ligand–Receptor Interaction

article

Intramolecular Nucleation Model for Polymer Crystallization

article

Intrinsic disorder modulates protein self-assembly and aggregation

scientific article

Introduction to colloidal systems

Invited Lecture. Columnar ordering as an excluded-volume effect

article by Daan Frenkel published January 1989 in Liquid Crystals

Irreducible Finite-Size Effects in the Surface Free Energy of NaCl Crystals from Crystal-Nucleation Data

scientific article published in Physical Review Letters

Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential

Isostructural solid-solid transition in crystalline systems with short-ranged interaction

scientific article published on 01 December 1994

Jean-Pierre Hansen – a stimulating history of simulating fluids

Kinetic Monte Carlo simulations of the growth of polymer crystals

article

Kinetics of formation of bile salt micelles from coarse-grained Langevin dynamics simulations

article

Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation. ⬇️

scientific article published on December 2016

Large Difference in the Elastic Properties of fcc and hcp Hard-Sphere Crystals

scientific article published in Physical Review Letters

Large effect of polydispersity on defect concentrations in colloidal crystals

Lattice models and Monte Carlo methods for simulating DNA origami self-assembly

scientific article published on 01 December 2018

Lattice simulation method to model diffusion and NMR spectra in porous materials ⬇️

article

Lattice-Boltzmann Simulations of Ionic Current Modulation by DNA Translocation

scientific article published in May 2006

Lattice-Boltzmann method for the simulation of transport phenomena in charged colloids

scientific article published on 21 November 2001

Lattice-Boltzmann simulation of the sedimentation of charged disks

scientific article published in March 2006

Lattice-based Monte Carlo method for telechelic chain molecules

Lattice-gas automata with attractive and repulsive interactions

scientific article published on 01 August 1993

Lattice-model study of the thermodynamic interplay of polymer crystallization and liquid–liquid demixing

article

Layering, freezing, and re-entrant melting of hard spheres in soft confinement

scientific article published on 21 February 2012

Length, protein–protein interactions, and complexity

Light scattering study of the statistical properties of nematic director fluctuations

Light-induced actuating nanotransducers.

scientific article

Line Tension Controls Wall-Induced Crystal Nucleation in Hard-Sphere Colloids

scientific article published in Physical Review Letters

Liquid carbon: structure near the freezing line

Liquid network connectivity regulates the stability and composition of biomolecular condensates with many components

scientific article published on 01 June 2020

Liquid-Like Behavior in Solids

Liquid-Vapor Transition Driven by Bond Disorder

scientific article published in Physical Review Letters

Liquid-crystalline ordering of antimicrobial peptide-DNA complexes controls TLR9 activation

scientific article published on 08 June 2015

Liquid-like behavior in colloidal crystals

Living clusters and crystals from low-density suspensions of active colloids

scientific article

Local Structure of Liquid Carbon Controls Diamond Nucleation

scientific article published in Physical Review Letters

Location of melting point at 300 K of nitrogen by Monte Carlo simulation

article

Long-time tails of the velocity autocorrelation function in two- and three-dimensional lattice-gas cellular automata: A test of mode-coupling theory

scientific article published on 01 April 1990

Long‐time tails in angular momentum correlations

article published in 1995

MATERIALS SCIENCE: Colloidal Encounters: A Matter of Attraction

scientific article published in Science

Measurements of the ratio of the Frank constants for splay and bend in nematics consisting of disc-like molecules 2, 3, 6, 7, 10, 11-hexakis(p-alkoxybenzoyloxy)triphenylenes

article published in 1988

Measurements of the ratio of the Frank constants for splay and bend in nematics of disc-like molecules

article

Mechanism of Thickness Determination in Polymer Crystals

scientific article published in Physical Review Letters

Mechanism of two-step vapour–crystal nucleation in a pore

article by J.A. van Meel et al published 15 April 2015 in Molecular Physics

Melting line of Yukawa system by computer simulation

Melting of polydisperse hard disks

Mesoscopic lattice modeling of electrokinetic phenomena

Microscopic Marangoni Flows Cannot Be Predicted on the Basis of Pressure Gradients

scientific article published on 29 November 2017

Microscopic and mesoscopic simulation of entropic micelles

Mobile Linkers on DNA-Coated Colloids: Valency without Patches ⬇️

scientific article published in Physical Review Letters

Modeling and Theory: general discussion

Modeling flexible amphiphilic bilayers: A solvent-free off-lattice Monte Carlo study

article

Modeling the Phase Behavior of the Membrane Binding Protein Annexin V

Modeling the Phase Diagram of Carbon

scientific article published in Physical Review Letters

Molecular Dynamics Study of Infinitely Thin Hard Rods: Scaling Behavior of Transport Properties

scientific article published in Physical Review Letters

Molecular Simulation of Thermo-osmotic Slip

scientific article published in Physical Review Letters

Molecular dynamics calculations on the time dependence of simple, anisotropic potentials in dense argon

article

Molecular dynamics simulation using hard particles

article

Molecular dynamics studies of orientational and collision‐induced light scattering in molecular fluids

article

Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods

article

Molecular simulations of droplet coalescence in oil/water/surfactant systems

Monte Carlo Sampling of a Markov Web

scientific article published on 01 May 2005

Monte Carlo Study of the Isotropic-Nematic Transition in a Fluid of Thin Hard Disks

scientific article published in Physical Review Letters

Monte Carlo sampling for stochastic weight functions.

scientific article published on 20 June 2017

Monte Carlo simulation of carrier number noise spectra in the integral quantum Hall regime

Monte Carlo simulation of two-dimensional hard ellipses

scientific article published on 01 August 1990

Monte Carlo simulations of a two-dimensional hard dimer system

Monte Carlo study of hard pentagons

Monte Carlo study of rod-like molecules

Monte Carlo study of substrate-induced folding and refolding of lattice proteins

scientific article published on December 2006

Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets

Multi-scale simulations provide supporting evidence for the hypothesis of intramolecular protein translocation in GroEL/GroES complexes

scientific article

Multiple Histogram Method and Static Monte Carlo Sampling

Multiple occupancy crystals formed by purely repulsive soft particles

article published in 2008

Multiple stalk formation as a pathway of defect-induced membrane fusion

article published in 2004

Nanocomposites: general discussion

article

Nanoparticle Assembly:A Perspective and some Unanswered Questions

Nanoparticle organization in sandwiched polymer brushes ⬇️

scientific article published on 21 April 2014

Nematic–isotropic transition in polydisperse systems of infinitely thin hard platelets

New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres

Non-Boltzmann behavior from the Boltzmann equation

scientific article published in May 1995

Non-Fickian diffusion in colloidal glasses

Non-Ideal DPD Fluids

Non-equilibrium simulations of thermally induced electric fields in water ⬇️

Non-linear conductivity in morpholinium (TCNQ)2salts

Non-linear density dependence of rotational line-broadening of HCl in dense argon

scholarly article by Daan Frenkel et al published May 1976 in Chemical Physics Letters

Nonmetal-metal transition in metal–molten-salt solutions

scientific article published on 01 May 1996

Nonperiodic solid phase in a two-dimensional hard-dimer system

scientific article published in Physical Review Letters

Novel Monte Carlo scheme for systems with short-ranged interactions

scientific article published on 01 June 2005

Novel scheme to compute chemical potentials of chain molecules on a lattice

article

Novel scheme to study structural and thermal properties of continuously deformable molecules

Nucleation in suspensions of anisotropic colloids

Numerical Calculation of Granular Entropy

scientific article published in Physical Review Letters

Numerical Evidence for Nucleated Self-Assembly of DNA Brick Structures ⬇️

scientific article published in Physical Review Letters

Numerical Evidence for bcc Ordering at the Surface of a Critical fcc Nucleus

scientific article published in Physical Review Letters

Numerical Simulation of Crystal Nucleation in Colloids

article

Numerical calculation of the melting phase diagram of low molecular-weight polyethylene

Numerical calculation of the rate of homogeneous gas–liquid nucleation in a Lennard-Jones system

Numerical evidence for thermally induced monopoles

scientific article published on 24 April 2017

Numerical prediction of absolute crystallization rates in hard-sphere colloids

Numerical prediction of the melting curve ofn-octane

article by James M. Polson & Daan Frenkel published 22 July 1999 in Journal of Chemical Physics

Numerical study of DNA-functionalized microparticles and nanoparticles: Explicit pair potentials and their implications for phase behavior

Numerical study of gas–liquid nucleation in partially miscible binary mixtures

article

Numerical study of the phase behavior of rodlike colloids with attractive interactions

Numerical study of the phase diagram of a mixture of spherical and rodlike colloids

article published in 1994

Numerical test of the Edwards conjecture shows that all packings are equally probable at jamming

Numerical test of the generalized Flory and generalized Flory dimer theories

Objections to Handel’s quantum theory of1/fnoise

scientific article published on 01 March 1987

Observation of a re-entrant isotropic phase in a pure disc-like liquid crystal

Observation of dynamical precursors of the isotropic-nematic transition by computer simulation

scientific article published in Physical Review Letters

Old and New Phases in Complex Liquids

Oligomers of Heat-Shock Proteins: Structures That Don't Imply Function. ⬇️

scientific article

On the Raman spectrum of argon dimersa)

On the anisotropy of diffusion in nematic liquid crystals: test of a modified affine transformation model via molecular dynamics

article

Onset of heterogeneous crystal nucleation in colloidal suspensions

Optimal multivalent targeting of membranes with many distinct receptors

scientific article

Optimal packing of polydisperse hard-sphere fluids

Optimizing the Selectivity of Surface-Adsorbing Multivalent Polymers

scientific article published on 9 October 2014

Order through entropy

article by Daan Frenkel published January 2015 in Nature Materials

Ordered chaos

Orientational order and solid-liquid coexistence in the two-dimensional Lennard-Jones system

scientific article published on 01 May 1987

Oriented primary crystal nucleation in lamellar diblock copolymer systems

article

Out-of-equilibrium processes in suspensions of oppositely charged colloids: liquid-to-crystal nucleation and gel formation

Pair interactions between complex mesoscopic particles from Widom's particle-insertion method

article

Partial enthalpies and related quantities in mixtures from computer simulation

article by P. Sindzingre et al published April 1987 in Chemical Physics Letters

Perspective on "Statistical mechanical theory of irreversible processes. I. General theory and simple applications to magnetic and conduction problems."

Perspective on "The effect of shape on the interaction of colloidal particles"

Phase Behavior and Selectivity of DNA-Linked Nanoparticle Assemblies

scientific article published in Physical Review Letters

Phase Coexistence of Cluster Crystals: Beyond the Gibbs Phase Rule

scientific article published in Physical Review Letters

Phase Diagram of Hard Ellipsoids of Revolution

article

Phase Diagram of a System of Hard Ellipsoids

scientific article published in Physical Review Letters

Phase Transitions in Biological Systems with Many Components ⬇️

scientific article published in February 2017

Phase Transitions of Bulk Statistical Copolymers Studied by Dynamic Monte Carlo Simulations

Phase behavior and crystallization kinetics of poly-12-hydroxystearic-coated polymethylmethacrylate colloids

scientific article published on 26 February 2003

Phase behavior of a lattice protein model

article

Phase behavior of a simple model for membrane proteins

article

Phase behavior of colloid plus polydisperse polymer mixtures

Phase behavior of disklike hard-core mesogens

article

Phase behavior of model mixtures of colloidal disks and polymers

article

Phase behavior of two-dimensional hard rod fluids

Phase diagram of Hertzian spheres

scientific article published on 01 July 2009

Phase diagram of a system of hard spherocylinders by computer simulation

scientific article published on 01 March 1990

Phase diagram of the adhesive hard sphere fluid

scientific article published in July 2004

Phase separation in binary hard-core mixtures: An exact result

scientific article published in Physical Review Letters

Phase separation in binary hard‐core mixtures

Phase separation in mixtures of a rodlike colloid and two or more rodlike polymers

Phase separation in solutions with specific and nonspecific interactions.

scientific article published in May 2014

Physical determinants of the self-replication of protein fibrils

scientific article published on 18 July 2016

Plenty of room at the top

Point Defects in Hard-Sphere Crystals†

Polymer Crystallization Driven by Anisotropic Interactions

Pore nucleation in mechanically stretched bilayer membranes

Predicting DNA-mediated colloidal pair interactions

scientific article published on 27 January 2012

Predicting phase behavior in multicomponent mixtures

scientific article published in July 2013

Prediction of absolute crystal-nucleation rate in hard-sphere colloids

scientific article published in Nature

Prediction of an expanded-to-condensed transition in colloidal crystals

scientific article published in Physical Review Letters

Preface: Special Topic on Nucleation: New Concepts and Discoveries

scientific article

Pressure broadening of acetylene rotational Raman lines by argon

article

Probing Ergodicity in Granular Matter ⬇️

scientific article published in Physical Review Letters

Procedure to construct a multi-scale coarse-grained model of DNA-coated colloids from experimental data

article

Protein shape and crowding drive domain formation and curvature in biological membranes

scientific article

Publisher's Note: Lattice-based Monte Carlo method for telechelic chain molecules [Phys. Rev. E75, 036708 (2007)]

Publisher’s Note: Design Rule for Colloidal Crystals of DNA-Functionalized Particles [Phys. Rev. Lett.107, 045902 (2011)]

scientific article published in Physical Review Letters

Publisher’s Note: “The role of non-specific interactions in a patchy model of protein crystallization” [J. Chem. Phys. 143, 194511 (2015)]

Quantitative Prediction of the Phase Diagram of DNA-Functionalized Nanosized Colloids

scientific article published in Physical Review Letters

Quantitative analysis of co-oligomer formation by amyloid-beta peptide isoforms

scientific article published on 27 June 2016

Quantitative prediction of crystal-nucleation rates for spherical colloids: a computational approach

scientific article published on January 2004

Quasibinary amorphous phase in a three-dimensional system of particles with repulsive-shoulder interactions

article

Rate of homogeneous crystal nucleation in molten NaCl

scientific article published on 01 May 2005

Rational design of molecularly imprinted polymers

scientific article published on 9 October 2015

Rational design of self-assembly pathways for complex multicomponent structures ⬇️

scientific article published on 4 May 2015

Re-entrant melting as a design principle for DNA-coated colloids

scientific article

Real-time monitoring of complex moduli from micro-rheology

Recent advances in the modelling and simulation of electrokinetic effects: bridging the gap between atomistic and macroscopic descriptions

article

Receptor-Mediated Endocytosis of Nanoparticles of Various Shapes

article

Recoil growth algorithm for chain molecules with continuous interactions

Recoil growth: An efficient simulation method for multi-polymer systems

Reduced variance analysis of molecular dynamics simulations by linear combination of estimators

scientific article published on 17 May 2021

Relation between molecular shape and the morphology of self-assembling aggregates: a simulation study

scientific article published on 20 September 2011

Relative stability of columnar and crystalline phases in a system of parallel hard spherocylinders

scientific article published on 01 April 1991

Response to ‘‘Comment on ‘Long‐time tails in angular momentum correlations’ ’’ [J. Chem. Phys.104, 7363 (1996)]

Response to “Rotational velocity autocorrelation function of interacting Brownian particles”

article

Role of Fluctuations in Ligand Binding Cooperativity of Membrane Receptors

scientific article published in Physical Review Letters

Role of long-range interactions in the melting of a metallic surface

scientific article published on 01 July 1989

Rotational Diffusion Model with a Variable Collision Distribution

article

Rotational diffusion in dense suspensions

Rotational diffusion model with a variable collision distribution. II. The effect of energy transfer

article

Rotational relaxation of solute molecules in dense noble gases and the relation with local anisotropy fluctuations

Running Faster Together: Huge Speed up of Thermal Ratchets due to Hydrodynamic Coupling

scientific article published in Physical Review Letters

Sectorization of a Lamellar Polymer Crystal Studied by Dynamic Monte Carlo Simulations

Seeds of phase change

scientific article published in Nature

Self-Assembly of Structures with Addressable Complexity

scientific article published on 10 February 2016

Self-Poisoning of Crystal Nuclei in Hard-Rod Liquids

scientific article published in Physical Review Letters

Self-assembly protocol design for periodic multicomponent structures

scientific article published in December 2015

Self-consistent dissipative particle dynamics algorithm

article

Self-diffusion of colloidal particles in a two-dimensional suspension: Are deviations from Fick’s law experimentally observable?

scientific article published in Physical Review Letters

Self-poisoning of crystal nuclei in hard-rod liquids

Short-time correlations in liquids: Molecular-dynamics simulation of hard spheroids

scientific article published in Physical Review Letters

Short-time dynamics of colloidal suspensions

article

Short-time dynamics of colloidal suspensions in confined geometries

article

Simple off-lattice model to study the folding and aggregation of peptides

article

Simulating colloids with Baxter s adhesive hard sphere model

article

Simulating mesoscopic order

Simulating polymer liquid crystals

article

Simulating rare events in equilibrium or nonequilibrium stochastic systems.

scientific article

Simulation of Shish-Kebab Crystallite Induced by a Single Prealigned Macromolecule

scholarly article by Wenbing Hu et al published September 2002 in Macromolecules

Simulation of colloidal crystallization on finite structured templates

Simulation of diffusion in a two-dimensional lattice-gas cellular automaton: A test of mode-coupling theory

scientific article published in Physical Review Letters

Simulation of homogeneous crystal nucleation close to coexistence

Simulation of nucleation in almost hard-sphere colloids: The discrepancy between experiment and simulation persists

article by L. Filion et al published 7 April 2011 in Journal of Chemical Physics

Simulation of phase coexistence for complex molecules

Simulation of sub-molecular and supra-molecular fluids

Simulation of the adhesive-hard-sphere model

article

Simulation study of a two-dimensional system of semiflexible polymers

scientific article published on 01 July 1994

Simulation study of intra- and intermicellar ordering in triblock-copolymer systems

article published in 2004

Simulation study of micelle formation by bile salts

article

Simulation study of the isotropic-to-nematic transitions of semiflexible polymers

scientific article published on 01 June 1995

Simulations Suggest Possible Novel Membrane Pore Structure

article

Simulations: The dark side

Slow colloidal dynamics in polymer brushes

article

Smectic filaments in colloidal suspensions of rods

Smectic ordering in nematic and smectic liquid-crystalline films probed by means of surface light scattering

scientific article published on 01 December 1988

Soft condensed matter

article

Soft particles feel the squeeze

scientific article published in Nature

Solid-solid and liquid-solid phase equilibria for the restricted primitive model

article

Solid–liquid interfacial free energy of small colloidal hard-sphere crystals

article

Spatiotemporal control and superselectivity in supramolecular polymers using multivalency

scientific article

Special Issue on Liquid Matter 2017

Speed-up of Monte Carlo simulations by sampling of rejected states

scientific article

Spiers Memorial Lecture: Effect of interaction specificity on the phase behaviour of patchy particles

Stability of Bicelles: A Simulation Study

article

Stability of the high-pressure body-centered-cubic phase of helium

scientific article published in Physical Review Letters

State-of-the-art models for the phase diagram of carbon and diamond nucleation

article

Stresses Inside Critical Nuclei

Structural Arrest in an Ideal Gas

scientific article published in Physical Review Letters

Structural analysis of high-dimensional basins of attraction. ⬇️

scientific article published on 15 September 2016

Structural, dynamical, electronic, and bonding properties of laser-heated silicon: Anab initiomolecular-dynamics study

article

Structure factors of polydisperse systems of hard spheres: A comparison of Monte Carlo simulations and Percus–Yevick theory

scientific article published in 1986

Structure of hard-core models for liquid crystals

article

Structure of the hard ellipsoid fluid

Studying polymer diffusiophoresis with non-equilibrium molecular dynamics

scientific article published on 01 April 2020

Superposition Enhanced Nested Sampling ⬇️

article published in 2014

Superselective targeting using multivalent polymers ⬇️

scientific article published on 23 January 2014

Suppression of crystal nucleation in polydisperse colloids due to increase of the surface free energy

scientific article

Surface and bulk dissolution properties, and selectivity of DNA-linked nanoparticle assemblies

scientific article published in June 2005

Surface-induced melting and freezing II. A semi-empirical Landau-type model

article

Switch-like surface binding of competing multivalent particles ⬇️

Synthesis of Nanoparticle Assemblies: general discussion

Tagged particle diffusion in 3d lattice gas cellular automata

The Lennard-Jones potential: when (not) to use it

scientific article published on 04 November 2019

The crucial effect of early-stage gelation on the mechanical properties of cement hydrates.

scientific article

The effect of chain stiffness on the phase behaviour of isolated homopolymers

The hard ellipsoid-of-revolution fluid

The hard ellipsoid-of-revolution fluid

The mechanism of thickness selection in the Sadler-Gilmer model of polymer crystallization

scientific article

The other entropy

The overlapping distribution method to compute chemical potentials of chain molecules

The role of long-range forces in the phase behavior of colloids and proteins

The role of non-specific interactions in a patchy model of protein crystallization

article

The simulation of entropic phase transitions

The stability of the AB 13 crystal in a binary hard sphere system

The steady state of heterogeneous catalysis, studied by first-principles statistical mechanics

scientific article published on 10 September 2004

The super long-time decay of velocity fluctuations in a two-dimensional fluid

Theory and simulation of DNA-coated colloids: a guide for rational design ⬇️

scientific article published on 10 February 2016

Thermodynamic properties of binary hard sphere mixtures

Thermodynamic stability of a smectic phase in a system of hard rods

scientific article published in Nature

Thermophoretic forces on a mesoscopic scale

scientific article published on 01 September 2018

Tracing the phase boundaries of hard spherocylinders

Transdisciplinary EU science institute needs funds urgently

scientific article published in February 2010

Translocation boost protein-folding efficiency of double-barreled chaperonins

scientific article published on 10 February 2006

Transverse interlayer order in lyotropic smectic liquid crystals

scientific article published on 01 August 1995

Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings. ⬇️

scientific article published on 25 January 2016

Two-step vapor-crystal nucleation close below triple point

article

Unexpected length dependence of the solubility of chain molecules

Unexpected relaxation dynamics of a self-avoiding polymer in cylindrical confinement

article

Vapor–liquid equilibria of the two‐dimensional Lennard‐Jones fluid(s)

Vapour-liquid equilibria of the hard core Yukawa fluid

article

Velocity Autocorrelation Function in a Four-Dimensional Lattice Gas

article published in 1992

Velocity auto-correlation functions in a 2d lattice Lorentz gas: Comparison of theory and computer simulation

Velocity correlations in a one-dimensional lattice gas: Theory and simulations

scientific article published on 01 June 1993

Velocity fluctuations and dispersion in a simple porous medium

scientific article

Virtual-Move Parallel Tempering

Visualizing basins of attraction for different minimization algorithms

scientific article

Waste-Recycling Monte Carlo

article

Waterlike thermodynamic anomalies in a repulsive-shoulder potential system

scientific article published on 20 May 2009

What experiments on pinned nanobubbles can tell about the critical nucleus for bubble nucleation

scientific article published on 22 December 2017

When droplets become stars: charged dielectric droplets beyond the Rayleigh limit

scientific article published on 15 November 2017

Why colloidal systems can be described by statistical mechanics: some not very original comments on the Gibbs paradox

article by Daan Frenkel published 3 April 2014 in Molecular Physics

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