Analyzing the Performance and Accuracy of Lossy Checkpointing on Sub-Iteration of NWChem Publications 2019 IEEE/ACM 5th International Workshop on Data Analysis and Reduction for Big Scientific Data (DRBSD-5)
Direct-Bandgap 2D Silver–Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation Publications Journal of the American Chemical Society
Ensemble first-principles molecular dynamics simulations of water using the SCAN meta-GGA density functional Publications The Journal of Chemical Physics
Gibbs Energy Minimization Model for Solvent Extraction with Application to Rare-Earths Recovery Publications Environmental Science & Technology
CFD-Guided Combustion System Optimization of a Gasoline Range Fuel in a Heavy-Duty Compression Ignition Engine Using Automatic Piston Geometry Generation and a Supercomputer Publications SAE Int. J. Adv. & Curr. Prac. in Mobility
ZeptoOS Publications Operating Systems for Supercomputers and High Performance Computing. High-Performance Computing Series
CosmoDC2: A Synthetic Sky Catalog for Dark Energy Science with LSST Publications The Astrophysical Journal
Valence: A Massively Parallel Implementation of the Variational Subspace Valence Bond Method Publications Journal of Computational Chemistry
A Comparison of Classical and Aggregation-Based Algebraic Multigrid Preconditioners for High-Fidelity Simulation of Wind Turbine Incompressible Flows Read More: https://epubs.siam.org/doi/abs/10.1137/18M1179018?mobileUi=0& Publications SIAM Journal on Scientific Computing
Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics Publications Proceedings of the Combustion Institute
