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Computational Methods for Statistical Mechanics: Advances and Applications I

FOCUS · G62 · ID: 1100976

Presentations

  • Generating constrained stochastic processes

    ORAL · Invited

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    Publication: J. Grela, S. N. Majumdar, G. Schehr, J. Stat. Phys. 183, 49 (2021)<br>B. De Bruyne, S. N. Majumdar, H. Orland, G. Schehr, J. Stat. Mech. 123204 (2021)<br>B. De Bruyne, S. N. Majumdar, G. Schehr, Phys. Rev. E 104, 024117 (2021)

    Presenters

    • Gregory Schehr

      Sorbonne U

    Authors

    • Gregory Schehr

      Sorbonne U

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  • Adaptive power method for estimating large deviations of Markov chains

    ORAL

    –

    Publication: In the next few weeks the paper will appear on arXiv and will be submitted to a journal (likely, PRE).

    Presenters

    • Francesco Coghi

      NORDITA (Nordic Institute for Theoretical Physics)

    Authors

    • Francesco Coghi

      NORDITA (Nordic Institute for Theoretical Physics)

    • Hugo Touchette

      Stellenbosch University, South Africa

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  • Leveraging Enhanced, Recursively Stratified Sampled Monte Carlo Integration for Accurate Molecular Partition Functions

    ORAL

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    Publication: Rath, G., Kopp, W. A., & Leonhard, K., "Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration", Journal of Chemical Information and Modeling, 2021, 61, 5853-5870<br>Rath, G., Azzaoui, M., Kopp, W. A., & Leonhard, K., "Increasing Sampling Efficiency for Recursively Stratified Monte Carlo Integration" [Planned Paper]

    Presenters

    • Gabriel Rath

      RWTH Aachen University

    Authors

    • Gabriel Rath

      RWTH Aachen University

    • Kai Leonhard

      Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany, RWTH Aachen University

    • Mohammed Azzaoui

      RWTH Aachen University

    • Wassja A Kopp

      RWTH Aachen University

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  • Rényi entanglement entropy in complex quantum systems

    ORAL

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    Publication: M. Srdinsek, M. Casula, and R. Vuilleumier, Quantum Rényi entropy by optimal thermody-<br>namic integration paths, Phys. Rev. Research 4, L032002 (2022).

    Presenters

    • Miha Srdinsek

      Sorbonne University

    Authors

    • Miha Srdinsek

      Sorbonne University

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  • Markov State Model Optimization of Self-Assembly Protocols for Finite Subunit Pool Systems

    ORAL

    –

    Presenters

    • Anthony S Trubiano

      Department of Physics & MRSEC, Brandeis University, Waltham, MA, Brandeis University

    Authors

    • Anthony S Trubiano

      Department of Physics & MRSEC, Brandeis University, Waltham, MA, Brandeis University

    • Michael F Hagan

      Brandeis Univ, Department of Physics & MRSEC, Brandeis University, Waltham, MA, Brandeis University

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  • Thermodynamic Limit in Computer Simulations via Finite-Size Integral Equations

    ORAL

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    Publication: J. Chem. Phys. 156, 044502 (2022); https://doi.org/10.1063/5.0076744<br>Soft Matter, 2022,18, 2373-2382; https://doi.org/10.1039/D2SM00089J

    Presenters

    • Jose M Sevilla Moreno

      Max Planck institute for Polymer Research

    Authors

    • Jose M Sevilla Moreno

      Max Planck institute for Polymer Research

    • Robinson Cortes Huerto

      Max Planck Institute for Polymer Researc

    • Kurt Kremer

      Max Planck Institute for Polymer Research

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  • From Molecular Dynamics to lattice Boltzmann

    ORAL

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    Publication: [1] M. Reza Parsa and Alexander J. Wagner, Lattice gas with molecular dynamics collision operator, Phys. Rev. E 96, 013314 (2017)<br>[2] Thomas Blommel and Alexander J. Wagner, Integer lattice gas with Monte Carlo collision operator recovers the lattice Boltzmann method with Poisson-distributed fluctuations<br> Phys. Rev. E 97, 023310 (2018)<br>[3] Noah Seekins and Alexander J. Wagner, Integer lattice gas with a sampling collision operator for the fluctuating diffusion equation, Phys. Rev. E 105, 035303 (2022)<br>[4] Kyle Strand and Alexander J. Wagner, Overrelaxation in a diffusive integer lattice gas, Phys. Rev. E 105, L063301 (2022)<br>[5] M. Reza Parsa, Changho Kim, and Alexander J. Wagner, Nonuniqueness of fluctuating momentum in coarse-grained systems, Phys. Rev. E 104, 015304 (2021)<br>[6] M. Reza Parsa and Alexander J. Wagner, Large Fluctuations in Nonideal Coarse-Grained Systems, Phys. Rev. Lett. 124, 234501 (2020)<br>[7] Aleksandra Pachalieva, Alexander J. Wagner, Connecting lattice Boltzmann methods to physical reality by coarse-graining Molecular Dynamics simulations, arXiv:2109.05009

    Presenters

    • Alexander Wagner

      North Dakota State University

    Authors

    • Alexander Wagner

      North Dakota State University

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