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      The Potential Energy Hotspot: Effects of Impact Velocity, Defect Geometry, and Crystallographic Orientation

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          Fast Parallel Algorithms for Short-Range Molecular Dynamics

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            A unified formulation of the constant temperature molecular dynamics methods

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              Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

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                Author and article information

                Contributors
                (View ORCID Profile)
                (View ORCID Profile)
                Journal
                The Journal of Physical Chemistry C
                J. Phys. Chem. C
                American Chemical Society (ACS)
                1932-7447
                1932-7455
                February 24 2022
                February 10 2022
                February 24 2022
                : 126
                : 7
                : 3743-3755
                Affiliations
                [1 ]School of Materials Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907, United States
                [2 ]Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States
                Article
                10.1021/acs.jpcc.1c10226
                4f239968-0ba9-49ef-9cc3-835adc70d837
                © 2022

                https://doi.org/10.15223/policy-029

                https://doi.org/10.15223/policy-037

                https://doi.org/10.15223/policy-045

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