Sapna Sarupria

According to our database, Sapna Sarupria authored at least 5 papers between 2013 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Path Sampling for Rare Events Boosted by Machine Learning.

Porhouy Minh, Sapna Sarupria

CoRR, February, 2026

Solvent-Inclusive ML/MM Simulations: Assessments of Structural, Dynamical, and Thermodynamic Accuracy.

Varun Gopal, Clara Kirkvold, Adrian Gordon, Jason Goodpaster, Sapna Sarupria

J. Chem. Inf. Model., 2026

2019

Free Energies of Catalytic Species Adsorbed to Pt(111) Surfaces under Liquid Solvent Calculated Using Classical and Quantum Approaches.

Xiaohong Zhang, Ryan S. DeFever, Sapna Sarupria, Rachel B. Getman

J. Chem. Inf. Model., 2019

Building A Scalable Forward Flux Sampling Framework using Big Data and HPC.

Ryan S. DeFever, Walter Hanger, Sapna Sarupria, Jon Kilgannon, Amy W. Apon, Linh Bao Ngo

Proceedings of the Practice and Experience in Advanced Research Computing on Rise of the Machines (learning), 2019

2013

SciFlow: A dataflow-driven model architecture for scientific computing using Hadoop.

Pengfei Xuan, Yueli Zheng, Sapna Sarupria, Amy W. Apon

Proceedings of the 2013 IEEE International Conference on Big Data (IEEE BigData 2013), 2013