Search filters

List of works by Paolo Nicolini

A Low-Computational-Cost Strategy to Localize Points in the Slow Manifold Proximity for Isothermal Chemical Kinetics

A comparison of empirical potentials for sliding simulations of MoS 2

Attracting subspaces in a hyper-spherical representation of autonomous dynamical systems

Exploiting Configurational Freezing in Nonequilibrium Monte Carlo Simulations

scientific article published on 9 February 2011

Features in chemical kinetics. I. Signatures of self-emerging dimensional reduction from a general format of the evolution law.

scientific article published in June 2013

Features in chemical kinetics. II. A self-emerging definition of slow manifolds

scientific article published in June 2013

Features in chemical kinetics. III. Attracting subspaces in a hyper-spherical representation of the reactive system

scientific article published in December 2015

Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations

scientific article published in July 2010

Improving fast-switching free energy estimates by dynamical freezing

article

Modeling and simulation in tribology across scales: An overview

On the lubricity of transition metal dichalcogenides: an ab initio study

scientific article published on 13 April 2017

Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching.

scientific article

Structural Ordering of Molybdenum Disulfide studied via Reactive Molecular Dynamics Simulations

scientific article published on 20 February 2018

The force matching approach to multiscale simulations: Merits, shortcomings, and future perspectives

Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: a steered molecular dynamics simulation route

scientific article published on 26 April 2013

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

scientific article published on 31 October 2019

Paulina is supported by:

About Paulina

Help