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FitSNAP: Atomistic machine learning with LAMMPS., , , , , , , , , and 5 other author(s). J. Open Source Softw., 8 (83): 5118 (March 2023)A constant-time kinetic Monte Carlo algorithm for simulation of large biochemical reaction networks, , and . The Journal of Chemical Physics, 128 (20): 205101 (2008)Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics., , , and . J. Comput. Phys., (2018)Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks., , , , , and . CoRR, (2020)A study of the viability of exploiting memory content similarity to improve resilience to memory errors., , , , and . Int. J. High Perform. Comput. Appl., 29 (1): 5-20 (2015)Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism., and . Comput. Phys. Commun., (May 2023)SNAP: Strong Scaling High Fidelity Molecular Dynamics Simulations on Leadership-Class Computing Platforms., , and . ISC, volume 8488 of Lecture Notes in Computer Science, page 19-34. Springer, (2014)Billion atom molecular dynamics simulations of carbon at extreme conditions and experimental time and length scales., , , , , , , , and . SC, page 4. ACM, (2021)LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales., , , , , , , , , and 5 other author(s). Comput. Phys. Commun., (2022)Rapid Exploration of Optimization Strategies on Advanced Architectures using TestSNAP and LAMMPS., , , , , , , and . CoRR, (2020)