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    • RXMD

      Public
      RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine
      Fortran
      1426170Updated Jul 30, 2025Jul 30, 2025
    • E3D

      Public
      Python
      0000Updated Jul 23, 2025Jul 23, 2025
    • A github page for maintaing the publications page for CACS
      HTML
      0100Updated Jun 20, 2025Jun 20, 2025
    • QXMD

      Public
      QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine
      Fortran
      81400Updated Jun 5, 2024Jun 5, 2024
    • GEARS

      Public
      Game-Engine Assisted Research framework for Scientific computing (GEARS) in Virtual Reality
      C++
      161651Updated Aug 16, 2022Aug 16, 2022
    • PND

      Public
      C++
      31000Updated Jul 9, 2021Jul 9, 2021
    • MISTIQS

      Public
      A full-stack, cross-platform software for generating, compiling, and executing quantum circuits for simulating quantum many-body dynamics of systems governed by Heisenberg Hamiltonians
      Python
      71701Updated Jun 2, 2021Jun 2, 2021
    • RL_CVD

      Public
      Reinforcement Learning Agent for Autonomous Synthesis of pure phase MoS2 with minimum defect conc. by CVD
      Jupyter Notebook
      4000Updated Feb 28, 2021Feb 28, 2021
    • EZFF

      Public
      Python
      1100Updated Dec 21, 2020Dec 21, 2020
    • xtal

      Public
      xtal is an umbrella package for various tools used to manipulate atomic trajectories
      Makefile
      3060Updated Nov 14, 2020Nov 14, 2020
    • Domain-specific compilers for IBM and Rigetti wrapped into a full-stack quantum simulation software package
      Python
      0100Updated Sep 7, 2020Sep 7, 2020
    • C
      4000Updated Jun 30, 2019Jun 30, 2019
    • GEARS-AR

      Public
      Class room AR experience for learning Molecular Structures reasearched at CACS USC
      C#
      1000Updated Jun 15, 2019Jun 15, 2019
    • GEARS-XR

      Public
      C#
      0100Updated Jun 8, 2019Jun 8, 2019
    • LAMMPS plugins for thermal conductivity and density of states calculation
      C
      124800Updated Mar 9, 2019Mar 9, 2019
    • ALLM

      Public
      ALLM: Active Learning for Accelerated Design of Layered Materials
      Python
      5600Updated Jan 24, 2019Jan 24, 2019
    • Python-based Machine Learning tools to analyze damage in materials by classification of defects
      C
      3200Updated Dec 10, 2018Dec 10, 2018
    • 0000Updated Nov 12, 2018Nov 12, 2018
    • Utilities

      Public
      Utility Tools for Molecular Dynamics Simulation
      Jupyter Notebook
      1000Updated Aug 13, 2017Aug 13, 2017