Personal information

Verified email domains

atomistic simulations, enhanced sampling, free energy calculations, kinetic rate calculations, excited states, photochemistry

Biography

Icelandic nationality living in Denton, TX, USA.

Activities

Employment (4)

University of North Texas: Denton, Texas, US

2022-01-16 to present | Assistant Professor (Department of Chemistry)
Employment
Source: Self-asserted source
Omar Valsson

Max Planck Institute for Polymer Research: Mainz, DE

2017-04-01 to 2022-01-15 | Group Leader (Theory Group)
Employment
Source: Self-asserted source
Omar Valsson

Università della Svizzera Italiana (USI): Lugano, CH

2012-10 to 2017-03-31 | Postdoctoral researcher with Prof. Michele Parrinello (Institute of Computational Science)
Employment
Source: Self-asserted source
Omar Valsson

ETH Zurich: Lugano, CH

2012-10-01 to 2017-03-31 | Postdoctoral researcher with Prof. Michele Parrinello (Department of Chemistry and Applied Biosciences)
Employment
Source: Self-asserted source
Omar Valsson

Education and qualifications (3)

University of Twente: Enschede, NL

2008-09 to 2012-09 | PhD in Physics (Faculty of Science and Technology)
Education
Source: Self-asserted source
Omar Valsson

University of Iceland: Reykjavik, IS

2006-09 to 2008-06 | MSc in Physics (Faculty of Physical Sciences)
Education
Source: Self-asserted source
Omar Valsson

University of Iceland: Reykjavik, IS

2003-09 to 2006-06 | BSc in Physics (Faculty of Physical Sciences)
Education
Source: Self-asserted source
Omar Valsson

Works (28)

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

The Journal of Physical Chemistry A
2021-07-22 | Journal article
Contributors: Jakub Rydzewski; Omar Valsson
Source: check_circle
Crossref

Free-energy landscape of polymer-crystal polymorphism

Soft Matter
2020 | Journal article
Contributors: Chan Liu; Jan Gerit Brandenburg; Omar Valsson; Kurt Kremer; Tristan Bereau
Source: check_circle
Crossref

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

Journal of Chemical Theory and Computation
2020-10-13 | Journal article
Contributors: Antarip Halder; Sunil Kumar; Omar Valsson; Govardhan Reddy
Source: check_circle
Crossref

Finding multiple reaction pathways of ligand unbinding

The Journal of Chemical Physics
2019-06-14 | Journal article
Contributors: Jakub Rydzewski; Omar Valsson
Source: check_circle
Crossref

Chemical potential calculations in non-homogeneous liquids

The Journal of Chemical Physics
2018-08-21 | Journal article
Contributors: Claudio Perego; Omar Valsson; Michele Parrinello
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Frequency adaptive metadynamics for the calculation of rare-event kinetics

The Journal of Chemical Physics
2018-08-21 | Journal article
Contributors: Yong Wang; Omar Valsson; Pratyush Tiwary; Michele Parrinello; Kresten Lindorff-Larsen
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

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

Proceedings of the National Academy of Sciences of the United States of America
2017 | Journal article
WOSUID:

WOS:000397607300055

Contributors: Invernizzi, Michele; Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations

Physical Review Letters
2017 | Journal article
WOSUID:

WOS:000404892100012

Contributors: Piaggi, Pablo M.; Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

Variational Flooding Study of a S(N)2 Reaction

Journal of Physical Chemistry Letters
2017 | Journal article
WOSUID:

WOS:000393443400007

Contributors: Piccini, GiovanniMaria; McCarty, James J.; Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

Conformational Entropy as Collective Variable for Proteins

The Journal of Physical Chemistry Letters
2017-10-05 | Journal article
Contributors: Ferruccio Palazzesi; Omar Valsson; Michele Parrinello
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

A variational approach to nucleation simulation

Faraday Discussions
2016 | Journal article
WOSUID:

WOS:000392437000025

Contributors: Piaggi, Pablo M.; Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

Bespoke Bias for Obtaining Free Energy Differences within Variationally Enhanced Sampling

Journal of Chemical Theory and Computation
2016 | Journal article
WOSUID:

WOS:000375810000005

Contributors: McCarty, James; Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

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

Journal of Physical Chemistry Letters
2016 | Journal article
WOSUID:

WOS:000388433200020

Contributors: Guareschi, Riccardo; Valsson, Omar; Curutchet, Cartes; Mennucci, Benedetta; Filippi, Claudia
Source: Self-asserted source
Omar Valsson via ResearcherID

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

Proceedings of the National Academy of Sciences of the United States of America
2016 | Journal article
WOSUID:

WOS:000369085100037

Contributors: Shaffer, Patrick; Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

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

Annual Review of Physical Chemistry, Vol 67
2016 | Book chapter
WOSUID:

WOS:000377036600008

Contributors: Valsson, Omar; Tiwary, Pratyush; Parrinello, Michele; Johnson, MA; Martinez, TJ
Source: Self-asserted source
Omar Valsson via ResearcherID

Hierarchical Protein Free Energy Landscapes from Variationally Enhanced Sampling

Journal of Chemical Theory and Computation
2016 | Journal article
WOSUID:

WOS:000389866500007

Contributors: Shaffer, Patrick; Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

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

Journal of Chemical Physics
2015 | Journal article
WOSUID:

WOS:000352969600006

Contributors: Valsson, Omar; Filippi, Claudia; Casida, Mark E.
Source: Self-asserted source
Omar Valsson via ResearcherID

Variationally Optimized Free-Energy Flooding for Rate Calculation

Physical Review Letters
2015 | Journal article
WOSUID:

WOS:000359351300002

Contributors: McCarty, James; Valsson, Omar; Tiwary, Pratyush; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

Well-Tempered Variational Approach to Enhanced Sampling

Journal of Chemical Theory and Computation
2015 | Journal article
WOSUID:

WOS:000354578900004

Contributors: Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

Variational Approach to Enhanced Sampling and Free Energy Calculations

Physical Review Letters
2014 | Journal article
WOSUID:

WOS:000341269800002

Contributors: Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls

Journal of Chemical Theory and Computation
2013 | Journal article
WOSUID:

WOS:000319184800029

Contributors: Valsson, Omar; Campomanes, Pablo; Tavernelli, Ivano; Rothlisberger, Ursula; Filippi, Claudia
Source: Self-asserted source
Omar Valsson via ResearcherID

State-Specific Embedding Potentials for Excitation-Energy Calculations

Journal of Chemical Theory and Computation
2013 | Journal article
WOSUID:

WOS:000319184800021

Contributors: Daday, Csaba; Koenig, Carolin; Valsson, Omar; Neugebauer, Johannes; Filippi, Claudia
Source: Self-asserted source
Omar Valsson via ResearcherID

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

Journal of Chemical Theory and Computation
2013 | Journal article
WOSUID:

WOS:000328437500007

Contributors: Valsson, Omar; Parrinello, Michele
Source: Self-asserted source
Omar Valsson via ResearcherID

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

Physical Chemistry Chemical Physics
2012 | Journal article
WOSUID:

WOS:000306572600023

Contributors: Valsson, Omar; Angeli, Celestino; Filippi, Claudia
Source: Self-asserted source
Omar Valsson via ResearcherID

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

Journal of Physical Chemistry Letters
2012 | Journal article
WOSUID:

WOS:000302336800020

Contributors: Valsson, Omar; Filippi, Claudia
Source: Self-asserted source
Omar Valsson via ResearcherID

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

Journal of Chemical Theory and Computation
2011 | Journal article
WOSUID:

WOS:000287049200018

Contributors: Send, R; Valsson, O; Filippi, C
Source: Self-asserted source
Omar Valsson via ResearcherID

Photoisomerization of Model Retinal Chromophores: Insight from Quantum Monte Carlo and Multiconfigurational Perturbation Theory

Journal of Chemical Theory and Computation
2010 | Journal article
WOSUID:

WOS:000276558100027

Contributors: VALSSON, O; FILIPPI, C
Source: Self-asserted source
Omar Valsson via ResearcherID

Coherent switching by detuning a side-coupled quantum-dot system

Physical Review B
2008 | Journal article
WOSUID:

WOS:000260574500076

Contributors: VALSSON, O; TANG, CS; GUDMUNDSSON, V
Source: Self-asserted source
Omar Valsson via ResearcherID

Peer review (9 reviews for 6 publications/grants)

Review activity for Journal of chemical physics. (1)
Review activity for Journal of chemical theory and computation : (2)
Review activity for Journal of physical chemistry. (1)
Review activity for Nature communications (1)
Review activity for The journal of physical chemistry letters. (2)
Review activity for The journal of physical chemistry. (2)