Suman Samantray

According to our database, Suman Samantray authored at least 3 papers between 2020 and 2025.

Collaborative distances:

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

2025

Operationalizing Serendipity: Multi-Agent AI Workflows for Enhanced Materials Characterization with Theory-in-the-Loop.

Lance Yao, Suman Samantray, Ayana Ghosh, Kevin Roccapriore, Libor Kovarik, Sarah Allec, Maxim A. Ziatdinov

CoRR, August, 2025

PTM-Psi on the Cloud: A Cloud-Compatible Workflow for Scalable, High-Throughput Simulation of Post-Translational Modifications in Protein Complexes.

Suman Samantray, Margot Lockwood, Amity Andersen, Hoshin Kim, Paul Rigor, Margaret S. Cheung, Daniel Mejia-Rodriguez

J. Chem. Inf. Model., 2025

2020

Different Force Fields Give Rise to Different Amyloid Aggregation Pathways in Molecular Dynamics Simulations.

Suman Samantray, Feng Yin, Batuhan Kav, Birgit Strodel

J. Chem. Inf. Model., 2020