FMDA/B: Computational Methods: Theory, Codes and Applications II
ORAL · U04 · ID: 3362476
Presentations
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Spin-Orbit Quantum Monte Carlo for Heavy Element Equations of State
ORAL
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Presenters
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Raymond C Clay
Sandia National Laboratories
Authors
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Raymond C Clay
Sandia National Laboratories
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Cody A Melton
Sandia National Laboratories
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joshua P townsend
Sandia National Laboratories
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Temperature- and ab initio functional-dependent machine learning interatomic potentials for high-pressure materials
ORAL
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Presenters
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Kien Nguyen-Cong
Lawrence Livermore National Laboratory
Authors
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Kien Nguyen-Cong
Lawrence Livermore National Laboratory
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Stanimir A Bonev
Lawrence Livermore National Laboratory, Lawrence Livermore Natl Lab
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Magnus Method for Electronic Structure Calculations at Extreme Conditions
ORAL
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Presenters
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Markus W Daene
Lawrence Livermore National Laboratory
Authors
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Markus W Daene
Lawrence Livermore National Laboratory
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Babak Sadigh
Lawrence Livermore National Laboratory
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Philip A Sterne
Lawrence Livermore National Laboratory
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John Pask
Physics Division, Lawrence Livermore National Laboratory, Lawrence Livermore National Laboratory
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Mode-Selective Vibrational Energy Transfer Dynamics
ORAL
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Presenters
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Mitchell A Wood
Sandia National Laboratory
Authors
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Mitchell A Wood
Sandia National Laboratory
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Krupa Ramasesha
Sandia National Laboratory, Sandia National Laboratories
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Daniel Carlson
Sandia National Laboratory
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River Leversee
University of Colorado - Boulder
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Robert Knepper
Sandia National Laboratories
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Will Bassett
Sandia National Laboratories
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Integrating thermodynamic integrations with machine-learning force fields for Predicting entropy of liquids at extreme conditions
ORAL
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Presenters
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Kwangnam Kim
Lawrence Livermore National Laboratory
Authors
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Kwangnam Kim
Lawrence Livermore National Laboratory
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Stanimir A Bonev
Lawrence Livermore National Laboratory, Lawrence Livermore Natl Lab
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