Omar Valsson
Titel
Zitiert von
Zitiert von
Jahr
Enhancing important fluctuations: Rare events and metadynamics from a conceptual viewpoint
O Valsson, P Tiwary, M Parrinello
Annual review of physical chemistry 67, 159-184, 2016
2892016
Variational approach to enhanced sampling and free energy calculations
O Valsson, M Parrinello
Physical review letters 113 (9), 090601, 2014
1592014
Photoisomerization of Model Retinal Chromophores: Insight from Quantum Monte Carlo and Multiconfigurational Perturbation Theory
O Valsson, C Filippi
Journal of Chemical Theory and Computation 6 (4), 1275-1292, 2010
1342010
Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods
R Send, O Valsson, C Filippi
Journal of Chemical Theory and Computation, 2011
1172011
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
932019
Rhodopsin absorption from first principles: Bypassing common pitfalls
O Valsson, P Campomanes, I Tavernelli, U Rothlisberger, C Filippi
Journal of chemical theory and computation 9 (5), 2441-2454, 2013
832013
State-specific embedding potentials for excitation-energy calculations
C Daday, C König, O Valsson, J Neugebauer, C Filippi
Journal of chemical theory and computation 9 (5), 2355-2367, 2013
582013
Excitation energies of retinal chromophores: critical role of the structural model
O Valsson, C Angeli, C Filippi
Physical chemistry chemical physics 14 (31), 11015-11020, 2012
492012
Enhancing entropy and enthalpy fluctuations to drive crystallization in atomistic simulations
PM Piaggi, O Valsson, M Parrinello
Physical Review Letters 119 (1), 015701, 2017
442017
Well-tempered variational approach to enhanced sampling
O Valsson, M Parrinello
Journal of chemical theory and computation 11 (5), 1996-2002, 2015
402015
Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin
P Shaffer, O Valsson, M Parrinello
Proceedings of the National Academy of Sciences 113 (5), 1150-1155, 2016
372016
Frequency adaptive metadynamics for the calculation of rare-event kinetics
Y Wang, O Valsson, P Tiwary, M Parrinello, K Lindorff-Larsen
The Journal of chemical physics 149 (7), 072309, 2018
302018
Variationally optimized free-energy flooding for rate calculation
J McCarty, O Valsson, P Tiwary, M Parrinello
Physical review letters 115 (7), 070601, 2015
292015
Variational Flooding Study of a SN2 Reaction
GM Piccini, JJ McCarty, O Valsson, M Parrinello
The journal of physical chemistry letters 8 (3), 580-583, 2017
252017
Gas-Phase Retinal Spectroscopy: Temperature Effects Are But a Mirage
O Valsson, C Filippi
The Journal of Physical Chemistry Letters 3 (7), 908-912, 2012
222012
Electrostatic versus resonance interactions in photoreceptor proteins: the case of rhodopsin
R Guareschi, O Valsson, C Curutchet, B Mennucci, C Filippi
The Journal of Physical Chemistry Letters 7 (22), 4547-4553, 2016
202016
Coarse graining from variationally enhanced sampling applied to the Ginzburg–Landau model
M Invernizzi, O Valsson, M Parrinello
Proceedings of the National Academy of Sciences 114 (13), 3370-3374, 2017
172017
Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory
O Valsson, C Filippi, ME Casida
The Journal of Chemical Physics 142 (14), 04B605_1, 2015
172015
A variational approach to nucleation simulation
PM Piaggi, O Valsson, M Parrinello
Faraday discussions 195, 557-568, 2017
152017
Bespoke bias for obtaining free energy differences within variationally enhanced sampling
J McCarty, O Valsson, M Parrinello
Journal of chemical theory and computation 12 (5), 2162-2169, 2016
152016
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