2 citations · 2 across the 3 of their papers we have counts for
3 papers
BLAST: Bridging Length/time scales via Atomistic Simulation Toolkit
Henry Chan, Badri Narayanan, Mathew Cherukara +4
The ever-increasing power of supercomputers coupled with highly scalable simulation codes have made molecular dynamics an indispensable tool in applications ranging from predictive…
Active Learning the Coarse-Grained Energy Landscape For Water Clusters From Sparse Training Data
Troy D. Loeffler, Tarak K. Patra, Henry Chan +2
ANNs are currently trained by generating large quantities (On the order of or greater) of structural data in hopes that the ANN has adequately sampled the energy landscape…
Ice grains grow by dissolution, ripening and grain boundary migration
Henry Chan, Mathew J Cherukara, Badri Narayanan +3
Despite the exponential growth in computing resources and the availability of a myriad of different theoretical water models, an accurate, yet computationally efficient molecular l…