51 citations · 51 across the 1 of their papers we have counts for
2 papers
cs.DC2021★ 51 cited
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing
Logan Ward, Ganesh Sivaraman, J. Gregory Pauloski +9
Scientific applications that involve simulation ensembles can be accelerated greatly by using experiment design methods to select the best simulations to perform. Methods that use…
physics.comp-ph2019
Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations
Logan Ward, Ben Blaiszik, Ian Foster +3
Recent studies illustrate how machine learning (ML) can be used to bypass a core challenge of molecular modeling: the tradeoff between accuracy and computational cost. Here, we ass…