APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session S45: Computational Methods for Statistical Mechanics: Advances and Applications II
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Sponsoring Units: DCOMP GSNP
Chair: Nathan Clisby, Swinburne Univ of Tech
Room: 706
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S45.00001: Progress in stochastic coupled Molecular Dynamics and Spin Dynamics
Invited Speaker:
Pascal Thibaudeau
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S45.00002: Quantum-accurate multiscale modeling of ramp compressions and magneto-elastic phase transitions in iron
Julien Tranchida, Attila Cangi, Mitchell Wood, Aidan Thompson, Michael Paul Desjarlais
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S45.00003: Absolute entropy calculation from liquid state correlation functions
Michael Widom, Michael Gao
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S45.00004: Absolute free energies from ab-initio calculation: application to phase stability of liquid metal alloys
Yang Huang, Michael Gao, Michael Widom
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S45.00005: Investigation of Fe by means of atomistic spin dynamics coupled with ab initio molecular dynamics simulations
Davide Gambino, Bjorn Alling
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S45.00006: Spin dynamics simulations on Surface for a nanoscale Heisenberg antiferromagnet
Zhuofei Hou
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S45.00007: Effective diffusion in rough potential energy landscapes
Thomas Gray
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S45.00008: Stefan–Maxwell diffusivities extracted from molecular dynamics simulations via Onsager’s regression hypothesis
Charles Monroe, Maxim Zyskin
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S45.00009: Machine Learning the Effective Hamiltonian in High Entropy Alloys with Large DFT Datasets
Xianglin Liu, Jiaxin Zhang, Yang Wang, Markus Eisenbach
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S45.00010: Quantifying the disassembly of viral capsids from a multiscale molecular simulation approach
Horacio Andres Vargas Guzman, Christopher Cooper, Adolfo Poma
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S45.00011: Exploring the Potential of Parallel-Biasing in Flat Histogram Methods
Shanghui Huang, Jonathan K. Whitmer
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S45.00012: Superfluidity and dimensional cross-over in Quasi-1D systems
Per Bollmark, Adrian Kantian
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