Rajeev S. Assary

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 3

Top Topics

High Performance Computing

Top Venues

J. Chem. Inf. Model.

Publications

Andrew S. Lee, Sarah Elliott, Hassan Harb, Logan T. Ward, Ian T. Foster, Larry A. Curtiss, Rajeev S. Assary
: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. J. Chem. Inf. Model. 64 (4) (2024)
Logan T. Ward, Ganesh Sivaraman, J. Gregory Pauloski, Yadu N. Babuji, Ryan Chard, Naveen Dandu, Paul C. Redfern, Rajeev S. Assary, Kyle Chard, Larry A. Curtiss, Rajeev Thakur, Ian T. Foster
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing. MLHPC@SC (2021)
Logan T. Ward, Ganesh Sivaraman, J. Gregory Pauloski, Yadu N. Babuji, Ryan Chard, Naveen Dandu, Paul C. Redfern, Rajeev S. Assary, Kyle Chard, Larry A. Curtiss, Rajeev Thakur, Ian T. Foster
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing. CoRR (2021)
Di Wu, Qin Wang, Rajeev S. Assary, Linda J. Broadbelt, Goran Krilov
A Computational Approach To Design and Evaluate Enzymatic Reaction Pathways: Application to 1-Butanol Production from Pyruvate. J. Chem. Inf. Model. 51 (7) (2011)