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The Journal of Chemical Physics
|
January 3, 2019
Representing local atomic environment using descriptors based on local correlations
Amit Samanta
The Journal of Chemical Physics
|
April 3, 2012
Atomistic simulations of rare events using gentlest ascent dynamics
Amit Samanta, Weinan E
The Journal of Chemical Physics
|
October 4, 2018
The thermodynamics of a liquid-solid interface at extreme conditions: A model close-packed system up to 100 GPa
Amit Samanta, Jonathan L Belof
The Journal of Chemical Physics
|
September 13, 2006
Theoretical assessment of the elastic constants and hydrogen storage capacity of some metal-organic framework materials
Amit Samanta, Terumi Furuta, Ju Li
The Journal of Chemical Physics
|
May 2, 2016
Exploring the free energy surface using ab initio molecular dynamics
Amit Samanta, Miguel A Morales, Eric Schwegler
The Journal of Physical Chemistry Letters
|
September 30, 2017
Descriptor-Based Approach for the Prediction of Cation Vacancy Formation Energies and Transition Levels
Joel B Varley, Amit Samanta, Vincenzo Lordi
ACS Applied Materials & Interfaces
|
May 23, 2024
Unraveling the Correlation between the Interface Structures and Tunable Magnetic Properties of La<sub>1-</sub>Sr<sub></sub>CoO<sub>3-δ</sub>/La<sub>1-</sub>Sr<sub></sub>MnO<sub>3-δ</sub> Bilayers Using Deep Learning Models
Hong Sun, Vincenzo Lordi, Yayoi Takamura, et al.
Journal of Chemical Theory and Computation
|
August 15, 2023
Graph-EAM: An Interpretable and Efficient Graph Neural Network Potential Framework
Jun Yang, Zhitao Chen, Hong Sun, et al.
Physical Review Letters
|
February 1, 2008
Temperature and strain-rate dependence of surface dislocation nucleation
Ting Zhu, Ju Li, Amit Samanta, et al.
Science (New York, N.Y.)
|
November 8, 2014
Microscopic mechanisms of equilibrium melting of a solid
Amit Samanta, Mark E Tuckerman, Tang-Qing Yu, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
January 3, 2019
Representing local atomic environment using descriptors based on local correlations
Amit Samanta
The Journal of Chemical Physics
|
April 3, 2012
Atomistic simulations of rare events using gentlest ascent dynamics
Amit Samanta, Weinan E
The Journal of Chemical Physics
|
October 4, 2018
The thermodynamics of a liquid-solid interface at extreme conditions: A model close-packed system up to 100 GPa
Amit Samanta, Jonathan L Belof
The Journal of Chemical Physics
|
September 13, 2006
Theoretical assessment of the elastic constants and hydrogen storage capacity of some metal-organic framework materials
Amit Samanta, Terumi Furuta, Ju Li
The Journal of Chemical Physics
|
May 2, 2016
Exploring the free energy surface using ab initio molecular dynamics
Amit Samanta, Miguel A Morales, Eric Schwegler
The Journal of Physical Chemistry Letters
|
September 30, 2017
Descriptor-Based Approach for the Prediction of Cation Vacancy Formation Energies and Transition Levels
Joel B Varley, Amit Samanta, Vincenzo Lordi
ACS Applied Materials & Interfaces
|
May 23, 2024
Unraveling the Correlation between the Interface Structures and Tunable Magnetic Properties of La<sub>1-</sub>Sr<sub></sub>CoO<sub>3-δ</sub>/La<sub>1-</sub>Sr<sub></sub>MnO<sub>3-δ</sub> Bilayers Using Deep Learning Models
Hong Sun, Vincenzo Lordi, Yayoi Takamura, et al.
Journal of Chemical Theory and Computation
|
August 15, 2023
Graph-EAM: An Interpretable and Efficient Graph Neural Network Potential Framework
Jun Yang, Zhitao Chen, Hong Sun, et al.
Physical Review Letters
|
February 1, 2008
Temperature and strain-rate dependence of surface dislocation nucleation
Ting Zhu, Ju Li, Amit Samanta, et al.
Science (New York, N.Y.)
|
November 8, 2014
Microscopic mechanisms of equilibrium melting of a solid
Amit Samanta, Mark E Tuckerman, Tang-Qing Yu, et al.
Page
of 2