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The Journal of Chemical Physics
|
May 10, 2014
Solid-state dimer method for calculating solid-solid phase transitions
Penghao Xiao, Daniel Sheppard, Jutta Rogal, et al.
Physical Review Letters
|
June 24, 2017
Origin of Structural Modulations in Ultrathin Fe Films on Cu(001)
Xie Zhang, Tilmann Hickel, Jutta Rogal, et al.
The Journal of Chemical Physics
|
June 15, 2020
Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni<sub>3</sub>Al
Yanyan Liang, Grisell Díaz Leines, Ralf Drautz, et al.
The Journal of Chemical Physics
|
September 16, 2020
Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation
Sarath Menon, Grisell Díaz Leines, Ralf Drautz, et al.
Journal of Chemical Theory and Computation
|
July 3, 2024
Machine Learning Classification of Local Environments in Molecular Crystals
Daisuke Kuroshima, Michael Kilgour, Mark E Tuckerman, et al.
The Journal of Chemical Physics
|
June 1, 2022
Practical guide to replica exchange transition interface sampling and forward flux sampling
Steven W Hall, Grisell Díaz Leines, Sapna Sarupria, et al.
Journal of Chemical Theory and Computation
|
April 16, 2026
Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles
Caitlin A McCandler, Chatipat Lorpaiboon, Timothy C Berkelbach, et al.
The Journal of Chemical Physics
|
November 9, 2010
Nonlinear reaction coordinate analysis in the reweighted path ensemble
Wolfgang Lechner, Jutta Rogal, Jarek Juraszek, et al.
The Journal of Chemical Physics
|
November 9, 2010
The reweighted path ensemble
Jutta Rogal, Wolfgang Lechner, Jarek Juraszek, et al.
Physical Review Letters
|
February 6, 2016
Collective Atomic Displacements during Complex Phase Boundary Migration in Solid-Solid Phase Transformations
Juliana Duncan, Ari Harjunmaa, Rye Terrell, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 37) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
May 10, 2014
Solid-state dimer method for calculating solid-solid phase transitions
Penghao Xiao, Daniel Sheppard, Jutta Rogal, et al.
Physical Review Letters
|
June 24, 2017
Origin of Structural Modulations in Ultrathin Fe Films on Cu(001)
Xie Zhang, Tilmann Hickel, Jutta Rogal, et al.
The Journal of Chemical Physics
|
June 15, 2020
Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni<sub>3</sub>Al
Yanyan Liang, Grisell Díaz Leines, Ralf Drautz, et al.
The Journal of Chemical Physics
|
September 16, 2020
Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation
Sarath Menon, Grisell Díaz Leines, Ralf Drautz, et al.
Journal of Chemical Theory and Computation
|
July 3, 2024
Machine Learning Classification of Local Environments in Molecular Crystals
Daisuke Kuroshima, Michael Kilgour, Mark E Tuckerman, et al.
The Journal of Chemical Physics
|
June 1, 2022
Practical guide to replica exchange transition interface sampling and forward flux sampling
Steven W Hall, Grisell Díaz Leines, Sapna Sarupria, et al.
Journal of Chemical Theory and Computation
|
April 16, 2026
Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles
Caitlin A McCandler, Chatipat Lorpaiboon, Timothy C Berkelbach, et al.
The Journal of Chemical Physics
|
November 9, 2010
Nonlinear reaction coordinate analysis in the reweighted path ensemble
Wolfgang Lechner, Jutta Rogal, Jarek Juraszek, et al.
The Journal of Chemical Physics
|
November 9, 2010
The reweighted path ensemble
Jutta Rogal, Wolfgang Lechner, Jarek Juraszek, et al.
Physical Review Letters
|
February 6, 2016
Collective Atomic Displacements during Complex Phase Boundary Migration in Solid-Solid Phase Transformations
Juliana Duncan, Ari Harjunmaa, Rye Terrell, et al.
Page
of 4