164 citations · 314 across the 4 of their papers we have counts for
4 papers
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…
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…
Elucidating the Structure of the Magnesium Aluminum Chloride Complex electrolyte for Magnesium-ion batteries
Pieremanuele Canepa, Saivenkataraman Jayaraman, Lei Cheng +6
We present a rigorous analysis of the Magnesium Aluminum Chloro Complex (MACC) in tetrahydrofuran (THF), one of the few electrolytes that can reversibly plate and strip Mg. We use…
Transport properties of n-type ultrananocrystalline diamond films
I. S. Beloborodov, P. Zapol, D. M. Gruen +1
We investigate transport properties of ultrananocrystalline diamond films for a broad range of temperatures. Addition of nitrogen during plasma-assisted growth increases the conduc…