Computational Methods for Statistical Mechanics: Advances and Applications II
FOCUS · Y47 · ID: 47172
Presentations
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TBA
ORAL · Invited
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Presenters
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Naya Banerjee
University of Delaware
Authors
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Naya Banerjee
University of Delaware
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HOOMD-blue v3.0: Creating a modern and extensible API for molecular dynamics and Monte Carlo particle simulations
ORAL
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Publication: HOOMD-blue version 3.0 A Modern, Extensible, Flexible, Object-Oriented API for Molecular Simulations (10.25080/Majora-342d178e-004)
Presenters
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Brandon L Butler
University of Michigan
Authors
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Brandon L Butler
University of Michigan
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Joshua A Anderson
University of Michigan
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Sharon C Glotzer
University of Michigan
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Critical and geometric properties of magnetic polymers across the globule-coil transition
ORAL
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Publication: https://arxiv.org/abs/2107.11830
Presenters
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Kamilla Faizullina
National Research University Higher School of Economics
Authors
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Kamilla Faizullina
National Research University Higher School of Economics
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Evgeni Burovski
HSE University, National Research University Higher School of Economics
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Ilya Pchelintsev
National Research University Higher School of Economics
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A First Look at Structural Properties of Long HP Lattice Protein Sequences
ORAL
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Publication: A. C. K. Farris and D. P. Landau, Physica A 569, 125778 (2021)
Presenters
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Alfred C Farris
Emory University
Authors
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Alfred C Farris
Emory University
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David P Landau
University of Georgia
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Many-body theory for the lattice thermal conductivity of crystalline thermoelectrics
ORAL
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Presenters
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Axel Hübner
Humboldt University of Berlin
Authors
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Axel Hübner
Humboldt University of Berlin
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Claudia Draxl
Humboldt University of Berlin
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Keith Gilmore
Humboldt University of Berlin
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Santiago Rigamonti
Humboldt University of Berlin
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Thermal Conductivity of Polycrystalline Diamond Using Molecular Dynamics
ORAL
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Presenters
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Chaitanya Kane
University of Cincinnati
Authors
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Woo Kyun Kim
University Of Cincinnati
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Chaitanya Kane
University of Cincinnati
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Temperature-dependent Kinetic Pathways of Heterogeneous Ice Nucleation: Competition between Classical and Non-classical
ORAL
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Publication: This work has been published in Nature Communications 12, 4954 (2021).
Presenters
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Chu Li
Department of Physics and Department of Chemistry, the Hong Kong University of Science and Technology
Authors
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Chu Li
Department of Physics and Department of Chemistry, the Hong Kong University of Science and Technology
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Optimization of non-equilibrium self-assembly protocols using Markov State Models
ORAL
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Presenters
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Anthony S Trubiano
Brandeis University, Department of Physics & MRSEC, Brandeis University
Authors
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Anthony S Trubiano
Brandeis University, Department of Physics & MRSEC, Brandeis University
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Michael F Hagan
Brandeis Univ, Brandeis University
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PySAGES, Enhanced Sampling Molecular Dynamics Simulations on GPUs
ORAL
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Publication: Pablo Zubieta, Ludwig Schneider, John Parker, Gustavo Perez-Lemus, and Juan J. de Pablo. "PySAGES, Enhanced Sampling Molecular Dynamics Simulations on GPUs." (Planned paper)
Presenters
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Pablo Zubieta
Pritzker School of Molecular Engineering, University of Chicago
Authors
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Pablo Zubieta
Pritzker School of Molecular Engineering, University of Chicago
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Ludwig Schneider
Pritzker School of Molecular Engineering, University of Chicago, University of Chicago, Pritzker School of Molecular Engineering, University of Chicago, PME, University of Chicago
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John A Parker
Research Computing Center, University of Chicago
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Gustavo R Perez Lemus
Pritzker School of Molecular Engineering, University of Chicago, University of Chicago
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Juan De Pablo
University of Chicago, Pritzker School of Molecular Engineering, University of Chicago
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VEO, a Vectorized Heuristic to Solve Complex Spin Glass Problems
ORAL
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Presenters
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Stefan Boettcher
Emory University
Authors
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Stefan Boettcher
Emory University
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Mahajabin Rahman
Emory University
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Novel criticality in a simple three-dimensional Potts model with next-nearest-neighbor interaction
ORAL
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Presenters
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Jun Takahashi
University of New Mexico
Authors
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Jun Takahashi
University of New Mexico
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Brittle-to-Ductile Transition of Single-Crystalline Sapphire During Ultra-Precision Machining
ORAL
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Presenters
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Dalei Xi
University of Cincinnati
Authors
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Woo Kyun Kim
University Of Cincinnati
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Dalei Xi
University of Cincinnati
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Yiyang Du
University of Cincinnati
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Aditya Nagaraj
University of Wisconsin-Madison
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Suk Bum Kwon
University of Wisconsin-Madison
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Sangkee Min
University of Wisconsin-Madison
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