All Stories

  1. Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware

    Article • The Journal of Chemical Physics, February 2025, American Institute of Physics

    Danny Perez

  2. Frontier: Exploring Exascale

    Article • November 2023, ACM (Association for Computing Machinery)

    Dr. Axel Huebl, Danny Perez

  3. Ab initio investigation of elastic properties of dilute Cu alloys for high-gradient accelerating structures

    Article • Journal of Applied Physics, November 2022, American Institute of Physics

    Danny Perez

  4. Ab initio Cu alloy design for high-gradient accelerating structures

    Article • Applied Physics Letters, March 2022, American Institute of Physics

    Danny Perez

  5. An entropy-maximization approach to automated training set generation for interatomic potentials

    Article • The Journal of Chemical Physics, September 2020, American Institute of Physics

    Mariia Karabin, Danny Perez

  6. Long-time molecular dynamics simulations on massively parallel platforms: A comparison of parallel replica dynamics and parallel trajectory splicing

    Article • Journal of Materials Research, December 2017, Cambridge University Press

    Danny Perez

  7. Modern TAD

    Article • Annual Review of Chemical and Biomolecular Engineering, June 2016, Annual Reviews

    Dr. Richard J Zamora, Blas Uberuaga, Danny Perez

  8. TADSim

    Article • ACM Transactions on Modeling and Computer Simulation, May 2015, ACM (Association for Computing Machinery)

    Susan Mniszewski, Danny Perez