53 citations · 129 across the 13 of their papers we have counts for
5 papers · 1 filter
Real-time 3D Nanoscale Coherent Imaging via Physics-aware Deep Learning
Henry Chan, Youssef S. G. Nashed, Saugat Kandel +4
Phase retrieval, the problem of recovering lost phase information from measured intensity alone, is an inverse problem that is widely faced in various imaging modalities ranging fr…
Active Learning A Neural Network Model For Gold Clusters \& Bulk From Sparse First Principles Training Data
Troy D Loeffler, Sukriti Manna, Tarak K Patra +3
Small metal clusters are of fundamental scientific interest and of tremendous significance in catalysis. These nanoscale clusters display diverse geometries and structural motifs d…
Screening of Therapeutic Agents for COVID-19 using Machine Learning and Ensemble Docking Simulations
Rohit Batra, Henry Chan, Ganesh Kamath +3
The world has witnessed unprecedented human and economic loss from the COVID-19 disease, caused by the novel coronavirus SARS-CoV-2. Extensive research is being conducted across th…
Machine Learning the Metastable Phase Diagram of Materials
Srilok Srinivasan, Rohit Batra, Duan Luo +8
Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram…
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…