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Physical Chemistry Chemical Physics : PCCP
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July 12, 2012
Excitation energies of retinal chromophores: critical role of the structural model
Omar Valsson, Celestino Angeli, Claudia Filippi
The Journal of Physical Chemistry Letters
|
September 15, 2017
Conformational Entropy as Collective Variable for Proteins
Ferruccio Palazzesi, Omar Valsson, Michele Parrinello
Annual Review of Physical Chemistry
|
March 17, 2016
Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint
Omar Valsson, Pratyush Tiwary, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
January 21, 2016
Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin
Patrick Shaffer, Omar Valsson, Michele Parrinello
Journal of Chemical Theory and Computation
|
April 9, 2016
Bespoke Bias for Obtaining Free Energy Differences within Variationally Enhanced Sampling
James McCarty, Omar Valsson, Michele Parrinello
Journal of Chemical Theory and Computation
|
November 5, 2016
Hierarchical Protein Free Energy Landscapes from Variationally Enhanced Sampling
Patrick Shaffer, Omar Valsson, Michele Parrinello
The Journal of Chemical Physics
|
August 24, 2018
Chemical potential calculations in non-homogeneous liquids
Claudio Perego, Omar Valsson, Michele Parrinello
The Journal of Chemical Physics
|
April 17, 2015
Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory
Omar Valsson, Claudia Filippi, Mark E Casida
Faraday Discussions
|
October 19, 2016
A variational approach to nucleation simulation
Pablo M Piaggi, Omar Valsson, Michele Parrinello
Physical Review Letters
|
October 23, 2020
Erratum: Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations [Phys. Rev. Lett. 119, 015701 (2017)]
Pablo M Piaggi, Omar Valsson, Michele Parrinello
Page
of 4
Search research articles
Search
Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
July 12, 2012
Excitation energies of retinal chromophores: critical role of the structural model
Omar Valsson, Celestino Angeli, Claudia Filippi
The Journal of Physical Chemistry Letters
|
September 15, 2017
Conformational Entropy as Collective Variable for Proteins
Ferruccio Palazzesi, Omar Valsson, Michele Parrinello
Annual Review of Physical Chemistry
|
March 17, 2016
Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint
Omar Valsson, Pratyush Tiwary, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
January 21, 2016
Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin
Patrick Shaffer, Omar Valsson, Michele Parrinello
Journal of Chemical Theory and Computation
|
April 9, 2016
Bespoke Bias for Obtaining Free Energy Differences within Variationally Enhanced Sampling
James McCarty, Omar Valsson, Michele Parrinello
Journal of Chemical Theory and Computation
|
November 5, 2016
Hierarchical Protein Free Energy Landscapes from Variationally Enhanced Sampling
Patrick Shaffer, Omar Valsson, Michele Parrinello
The Journal of Chemical Physics
|
August 24, 2018
Chemical potential calculations in non-homogeneous liquids
Claudio Perego, Omar Valsson, Michele Parrinello
The Journal of Chemical Physics
|
April 17, 2015
Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory
Omar Valsson, Claudia Filippi, Mark E Casida
Faraday Discussions
|
October 19, 2016
A variational approach to nucleation simulation
Pablo M Piaggi, Omar Valsson, Michele Parrinello
Physical Review Letters
|
October 23, 2020
Erratum: Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations [Phys. Rev. Lett. 119, 015701 (2017)]
Pablo M Piaggi, Omar Valsson, Michele Parrinello
Page
of 4