Advances in Computational Physics for Fusion Applications

Presentations

• Abstract Withdrawn

  ORAL · Invited · Withdrawn

  March 16, 2026, 3:30 PM – March 16, 2026, 4:06 PM

  View abstract →

• Machine learned force fields for molecular dynamics simulation of fusion materials

  ORAL

  March 16, 2026, 4:06 PM – March 16, 2026, 4:18 PM

  Presenters

  • Markus Eisenbach

    • Oak Ridge National Laboratory

  Authors

  • Markus Eisenbach

    • Oak Ridge National Laboratory

  • German D Samolyuk

    • Oak Ridge National Laboratory

  • Richard Messerly

    • Oak Ridge National Laboratory

  • Eva Zarkadoula

    • Oak Ridge National Laboratory

  • Lauren J Nuckols

    • Oak Ridge National Lab

  • Yury Osetskiy

    • Oak Ridge National Laboratory

  View abstract →

• Computational Study of Deuterium Diffusion in Boron PFM

  ORAL

  March 16, 2026, 4:18 PM – March 16, 2026, 4:30 PM

  Presenters

  • Shafat Mubin

    • Valdosta State University

  Authors

  • Shafat Mubin

    • Valdosta State University

  • Edward Rios

    • Valdosta State University

  • Stephane Ethier

    • Princeton Plasma Physics Laboratory, Princeton, USA

  • Hanna Schamis

    • Princeton Plasma Physics Laboratory (PPPL)

  View abstract →

• Investigating Ice Defects Mobility under an External Bias Potential

  ORAL

  March 16, 2026, 4:30 PM – March 16, 2026, 4:42 PM

  Publication: 1. Mannino, A. et al. First-Principles Nanocapacitor Simulations of the Optical Dielectric Constant in Water Ice. Preprint at https://doi.org/10.48550/arXiv.2506.23003 (2025).
  
  2. Computational Characterization of Ice/Au Interfaces: Investigating Polarization and Electrochemical Properties under External Bias Potential (planned paper)

  Presenters

  • Graciele M Arvelos

    • Institute of Theoretical Physics

  Authors

  • Graciele M Arvelos

    • Institute of Theoretical Physics

  • Alexandre R Rocha

    • Instituto de Física Teórica, Sao Paulo State University
    • Institute of Theoretical Physics

  • Lucas T de Miranda

    • UNESP

  • Luana Pedroza

    • Institute of Physics - University of Sao Paulo

  • Anthony Mannino

    • Stony Brook University (SUNY)

  • Marivi Fernadez-Serra

    • Stony Brook University

  View abstract →

• Self-Diffusion of Point Defects in Hexagonal Ice using Machine Learning Interatomic Potentials

  ORAL

  March 16, 2026, 4:42 PM – March 16, 2026, 4:54 PM

  Publication: Lucas T. S. de Miranda, Márcio S. Gomes-Filho, Mariana Rossi, Luana S. Pedroza, Alexandre R. Rocha, Hexagonal ice density dependence on interatomic distance changes due to nuclear quantum effects, J. Chem. Phys. 163, 094503 (2025).
  Lucas T. S. de Miranda, Mariana Rossi, Luana S. Pedroza, Alexandre R. Rocha, Self-diffusion of point deffects in ice using machine learning methods (in preparation)

  Presenters

  • Alexandre R Rocha

    • Instituto de Fisica Teorica - UNESP

  Authors

  • Alexandre R Rocha

    • Instituto de Fisica Teorica - UNESP

  • Lucas T de Miranda

    • UNESP

  • Luana Pedroza

    • Institute of Physics - University of Sao Paulo

  • Mariana Rossi

    • Max Planck Institute for the Structure and Dynamics of Matter

  View abstract →