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The Journal of Chemical Physics|April 3, 2012
Atomistic simulations of rare events using gentlest ascent dynamicsAmit Samanta, Weinan EScience (New York, N.Y.)|November 8, 2014
Microscopic mechanisms of equilibrium melting of a solidAmit Samanta, Mark E Tuckerman, Tang-Qing Yu, et al.The Journal of Chemical Physics|May 3, 2014
Sampling saddle points on a free energy surfaceAmit Samanta, Ming Chen, Tang-Qing Yu, et al.The Journal of Chemical Physics|January 3, 2019
Representing local atomic environment using descriptors based on local correlationsAmit SamantaThe 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 GPaAmit Samanta, Jonathan L BelofThe Journal of Chemical Physics|September 13, 2006
Theoretical assessment of the elastic constants and hydrogen storage capacity of some metal-organic framework materialsAmit Samanta, Terumi Furuta, Ju LiThe Journal of Chemical Physics|May 2, 2016
Exploring the free energy surface using ab initio molecular dynamicsAmit Samanta, Miguel A Morales, Eric SchweglerThe Journal of Physical Chemistry Letters|September 30, 2017
Descriptor-Based Approach for the Prediction of Cation Vacancy Formation Energies and Transition LevelsJoel B Varley, Amit Samanta, Vincenzo LordiACS Applied Materials & Interfaces|May 23, 2024
Unraveling the Correlation between the Interface Structures and Tunable Magnetic Properties of La1-SrCoO3-δ/La1-SrMnO3-δ Bilayers Using Deep Learning ModelsHong 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 FrameworkJun Yang, Zhitao Chen, Hong Sun, et al.Pageof 7