Computational Methods for Statistical Mechanics: Advances and Applications III

Presentations

• Accelerated Monte Carlo sampling through non-reversibility and factorisation

  ORAL · Invited

  March 17, 2022, 4:00 PM – March 17, 2022, 4:36 PM

  Presenters

  • Manon Michel

    Université Clemont – Auvergne

  Authors

  • Manon Michel

    Université Clemont – Auvergne

  View abstract →

• Distribution of conductance in disordered mesoscopic systems

  ORAL

  March 17, 2022, 4:36 PM – March 17, 2022, 4:48 PM

  Presenters

  • Kazi Alam

    University of Florida

  Authors

  • Kazi Alam

    University of Florida

  • Khandker A Muttalib

    University of Florida

  View abstract →

• Choosing the right event (in non-reversible event-chain Monte Carlo)

  ORAL

  March 17, 2022, 4:48 PM – March 17, 2022, 5:00 PM

  Publication: [1] P. Höllmer, N. Noirault, B. Li, A. C. Maggs, and W. Krauth, "Sparse hard-disk packings and local Markov chains", arXiv: 2109.13343 [cond-mat.stat-mech] (2020)<br>[2] P. Höllmer, A.C. Maggs, and W. Krauth, "Hard-sphere dipoles and non-reversible Markov chains" (2021), manuscript in preparation.

  Presenters

  • Philipp Hoellmer

    University of Bonn

  Authors

  • Philipp Hoellmer

    University of Bonn

  • Nicolas Noirault

    École normale supérieure de Paris

  • Botao Li

    École normale supérieure de Paris

  • A. C. Maggs

    ESPCI Paris

  • Werner Krauth

    École normale supérieure de Paris

  View abstract →

• <u>Axial Nucleus Density</u> for DFT, Symmetry Axis Rotating Toward Electron Clusters with ½, Zeta Related to Two Locked-at-180^o Dirac Monopoles, Inter-dimensional Hemispherical (r_#,θ_#,φ_#,z) Relativity Stress

  ORAL

  March 17, 2022, 5:00 PM – March 17, 2022, 5:12 PM

  Presenters

  • Arno Vigen

    Independent researcher

  Authors

  • Arno Vigen

    Independent researcher

  View abstract →

• Improved Estimators for Quantum Typicality

  ORAL

  March 17, 2022, 5:12 PM – March 17, 2022, 5:24 PM

  Presenters

  • Phillip E Weinberg

    Northeastern University

  Authors

  • Phillip E Weinberg

    Northeastern University

  View abstract →

• Rejection-Free Population Annealing and Frustrated Ising Models

  ORAL

  March 17, 2022, 5:24 PM – March 17, 2022, 5:36 PM

  Presenters

  • Martin Weigel

    Tech Univ Chemnitz Zwickau

  Authors

  • Martin Weigel

    Tech Univ Chemnitz Zwickau

  • Denis Gessert

    Coventry University

  View abstract →

• Construction of CRSS model for sapphire with rate theory and molecular dynamic simulations

  ORAL

  March 17, 2022, 5:36 PM – March 17, 2022, 5:48 PM

  Presenters

  • Yiyang Du

    University of Cincinnati

  Authors

  • Woo Kyun Kim

    University Of Cincinnati

  • Yiyang Du

    University of Cincinnati

  • Dalei Xi

    University of Cincinnati

  • Aditya Nagaraj

    University of Wisconsin-Madison

  • Suk Bum Kwon

    University of Wisconsin-Madison

  • Sangkee Min

    University of Wisconsin-Madison

  View abstract →

• Computational studies of the glass-forming ability of binary alloys

  ORAL

  March 17, 2022, 5:48 PM – March 17, 2022, 6:00 PM

  Publication: 1. Yuan-Chao Hu, Jan Schroers, Mark D. Shattuck, and Corey S. O'Hern, Tuning the glass-forming ability of metallic glasses through energetic frustration, PHYSICAL REVIEW MATERIALS 3, 085602 (2019)<br>2. Yuan-Chao Hu, Kai Zhang, Sebastian A. Kube, Jan Schroers, Mark D. Shattuck, and Corey S. O'Hern, Glass formation in binary alloys with different atomic symmetries, PHYSICAL REVIEW MATERIALS 4, 105602 (2020)

  Presenters

  • Yuan-Chao Hu

    Yale University

  Authors

  • Yuan-Chao Hu

    Yale University

  • Jan Schroers

    Yale University

  • Mark D Shattuck

    The City College of New York

  • Corey S O'Hern

    Yale University

  View abstract →

• Reversible and irreversible plastic events in a sheared amorphous solid - a mesoscopic approach

  ORAL

  March 17, 2022, 6:00 PM – March 17, 2022, 6:12 PM

  Publication: [1] M. Mungan, S. Sastry, K. Dahmen, and I. Regev, Phys. Rev. Lett. 123, 178002 (2019<br>[2] I. Regev, I. Attia, K. Dahmen, S. Sastry, and M. Mungan,Phys. Rev. E 103, 062614 (2021)<br>[3] K. Khirallah, B. Tyukodi, D. Vandembroucq, and C.E. Maloney, Phys. Rev. Lett. 126, 218005 (2021)<br>[4] D. Fernandez Castellanos, S. Roux and S. Patinet, Comptes-Rendus Physique, 22, 1 (2021)<br>

  Presenters

  • Dheeraj Kumar

    Laboratoire PMMH, CNRS, ESPCI Paris PSL

  Authors

  • Dheeraj Kumar

    Laboratoire PMMH, CNRS, ESPCI Paris PSL

  • Sylvain Patinet

    Laboratoire PMMH,

  • Muhittin Mungan

    Univ Bonn

  • Ido Regev

    Ben Gurion Univ Sede Boqer

  View abstract →

• Pico-Scale Ideas for People-Scale Problems: Leveraging Molecular Simulation Tools for the Modeling of Urban Systems

  ORAL

  March 17, 2022, 6:12 PM – March 17, 2022, 6:24 PM

  Publication: Kelby B. Kramer and Gerald J. Wang, "Social distancing slows down steady dynamics in pedestrian flows," Physics of Fluids 33, 103318 (2021) https://doi.org/10.1063/5.0062331<br><br>Ryan Rusali and Gerald J. Wang, "High-Throughput Analysis of Urban Textures using Methods from Molecular Simulation," BuildSys '20: Proceedings of the 7th ACM International Conference on Systems for Energy-Efficient Buildings, Cities, and Transportation (2020) https://doi.org/10.1145/3408308.3427984

  Presenters

  • Gerald J Wang

    Carnegie Mellon University

  Authors

  • Vincent M Cheng

    Carnegie Mellon University

  • Kelby B Kramer

    Carnegie Mellon University

  • Divya Rana

    IIT Delhi

  • Ryan Rusali

    Carnegie Mellon University

  • Diana L Warren

    Carnegie Mellon University

  • Gerald J Wang

    Carnegie Mellon University

  View abstract →

• Stereo-chemistry controlled mechanical properties of cross-linked Poly (N-isopropyl acrylamide) in aqueous medium using molecular simulations

  ORAL

  March 17, 2022, 6:24 PM – March 17, 2022, 6:36 PM

  Publication: under preparation research paper entitled: "Stereo-chemistry controlled mechanical properties of cross-linked Poly (N-isopropyl acrylamide) in aqueous medium using molecular simulations"

  Presenters

  • ehsan hosseinian

    University of Tehran

  Authors

  • sajjad arzemanzadeh

    University of Tehran

  • Erfan Norouzi

    University of Tehran

  • ehsan hosseinian

    University of Tehran

  • Maryam Mahnama

    University of Tehran

  View abstract →

• Not Saved by the Bell: Non-Gaussianity and Fluid Transport Measurements in Molecular-Dynamics Simulations

  ORAL

  March 17, 2022, 6:36 PM – March 17, 2022, 6:48 PM

  Presenters

  • Yuanhao Li

    Carnegie Mellon University

  Authors

  • Yuanhao Li

    Carnegie Mellon University

  • Gerald J Wang

    Carnegie Mellon University

  View abstract →