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List of works by Omar Valsson

A variational approach to nucleation simulation

scientific article published on 18 October 2016

Bespoke Bias for Obtaining Free Energy Differences within Variationally Enhanced Sampling

scientific article published on 8 April 2016

Chemical potential calculations in non-homogeneous liquids

scientific article published on 01 August 2018

Coarse graining from variationally enhanced sampling applied to the Ginzburg-Landau model

scientific article published on 14 March 2017

Conformational Entropy as Collective Variable for Proteins.

scientific article

Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods

scientific article published on 10 January 2011

Electrostatic versus Resonance Interactions in Photoreceptor Proteins: The Case of Rhodopsin

scientific article

Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin

scientific article

Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations

scientific article published on 06 July 2017

Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint.

scientific article published on 10 March 2016

Erratum: Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations [Phys. Rev. Lett. 119, 015701 (2017)]

scientific article published on 01 October 2020

Excitation energies of retinal chromophores: critical role of the structural model.

scientific article published on 11 July 2012

Finding multiple reaction pathways of ligand unbinding

scientific article published on 01 June 2019

Free-energy landscape of polymer-crystal polymorphism

scientific article published on 01 October 2020

Frequency adaptive metadynamics for the calculation of rare-event kinetics

scientific article published on 01 August 2018

Gas-Phase Retinal Spectroscopy: Temperature Effects Are But a Mirage

scientific article published on 16 March 2012

Hierarchical Protein Free Energy Landscapes from Variationally Enhanced Sampling

scientific article published on 4 November 2016

Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials

scientific article published on 28 June 2022

Mg2+ Sensing by an RNA Fragment: Role of Mg2+ Coordinated Water Molecules

scientific article published on 17 September 2020

Multiscale Reweighted Stochastic Embedding: Deep Learning of Collective Variables for Enhanced Sampling

scientific article

Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory

scientific article published on 01 April 2015

Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls

scientific article published on 2 April 2013

State-Specific Embedding Potentials for Excitation-Energy Calculations

scientific article published on 22 April 2013

Thermodynamical Description of a Quasi-First-Order Phase Transition from the Well-Tempered Ensemble

scientific article published on 21 November 2013

Variational Flooding Study of a SN2 Reaction.

scientific article published on 10 January 2017

Variational approach to enhanced sampling and free energy calculations ⬇️

scientific article published on 27 August 2014

Variationally Optimized Free-Energy Flooding for Rate Calculation ⬇️

scientific article published on 10 August 2015

Well-Tempered Variational Approach to Enhanced Sampling

scientific article published on 04 May 2015

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