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The Journal of Chemical Physics
|
November 16, 2010
Constant pressure ab initio molecular dynamics with discrete variable representation basis sets
Zhonghua Ma, Mark Tuckerman
The Journal of Chemical Physics
|
March 17, 2018
Preface: Special Topic on Nuclear Quantum Effects
Mark Tuckerman, David Ceperley
Journal of Chemical Theory and Computation
|
April 13, 2023
Geometric Deep Learning for Molecular Crystal Structure Prediction
Michael Kilgour, Jutta Rogal, Mark Tuckerman
The Journal of Physical Chemistry. B
|
July 27, 2012
Macromolecular systems understood through multiscale and enhanced sampling techniques
Peter J Ortoleva, Tom Keyes, Mark Tuckerman
The Journal of Physical Chemistry. B
|
February 24, 2006
Tribute to Michael L. Klein: scientist, teacher, and mentor
Michiel Sprik, Ilja Siepmann, Doug Tobias, et al.
The Journal of Chemical Physics
|
May 3, 2014
Sampling saddle points on a free energy surface
Amit Samanta, Ming Chen, Tang-Qing Yu, et al.
Angewandte Chemie (International Ed. in English)
|
October 24, 2023
Tailoring Electrochemical CO<sub>2</sub> Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors
Oguz Kagan Coskun, Saudagar Dongare, Brian Doherty, et al.
The Journal of Chemical Physics
|
June 9, 2014
Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions
Tang-Qing Yu, Pei-Yang Chen, Ming Chen, et al.
The Journal of Physical Chemistry. B
|
January 14, 2025
Structural and Dynamic Heterogeneity of Deep Eutectic Solvents Composed of Choline Chloride and Ortho-Phenol Derivatives
Derrick Poe, Dinis O Abranches, Xiaoyu Wang, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 2, 2026
Structured electrolytes facilitate Grotthuss-type transport for enhanced proton-coupled electron transfer reactions
Miguel Muñoz, Michael S Chen, Giselle de Araujo Lima E Souza, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
November 16, 2010
Constant pressure ab initio molecular dynamics with discrete variable representation basis sets
Zhonghua Ma, Mark Tuckerman
The Journal of Chemical Physics
|
March 17, 2018
Preface: Special Topic on Nuclear Quantum Effects
Mark Tuckerman, David Ceperley
Journal of Chemical Theory and Computation
|
April 13, 2023
Geometric Deep Learning for Molecular Crystal Structure Prediction
Michael Kilgour, Jutta Rogal, Mark Tuckerman
The Journal of Physical Chemistry. B
|
July 27, 2012
Macromolecular systems understood through multiscale and enhanced sampling techniques
Peter J Ortoleva, Tom Keyes, Mark Tuckerman
The Journal of Physical Chemistry. B
|
February 24, 2006
Tribute to Michael L. Klein: scientist, teacher, and mentor
Michiel Sprik, Ilja Siepmann, Doug Tobias, et al.
The Journal of Chemical Physics
|
May 3, 2014
Sampling saddle points on a free energy surface
Amit Samanta, Ming Chen, Tang-Qing Yu, et al.
Angewandte Chemie (International Ed. in English)
|
October 24, 2023
Tailoring Electrochemical CO<sub>2</sub> Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors
Oguz Kagan Coskun, Saudagar Dongare, Brian Doherty, et al.
The Journal of Chemical Physics
|
June 9, 2014
Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions
Tang-Qing Yu, Pei-Yang Chen, Ming Chen, et al.
The Journal of Physical Chemistry. B
|
January 14, 2025
Structural and Dynamic Heterogeneity of Deep Eutectic Solvents Composed of Choline Chloride and Ortho-Phenol Derivatives
Derrick Poe, Dinis O Abranches, Xiaoyu Wang, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 2, 2026
Structured electrolytes facilitate Grotthuss-type transport for enhanced proton-coupled electron transfer reactions
Miguel Muñoz, Michael S Chen, Giselle de Araujo Lima E Souza, et al.
Page
of 2