Larry A. Curtiss

According to our database, Larry A. Curtiss authored at least 4 papers between 2001 and 2024.

Collaborative distances:

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

2024

<i>E</i>_min: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability.

Andrew S. Lee, Sarah Elliott, Hassan Harb, Logan T. Ward, Ian T. Foster, Larry A. Curtiss, Rajeev S. Assary

J. Chem. Inf. Model., February, 2024

2021

Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing.

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

Proceedings of the IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments, 2021

2016

Interstitial and Interlayer Ion Diffusion Geometry Extraction in Graphitic Nanosphere Battery Materials.

Attila Gyulassy, Aaron Knoll, Kah Chun Lau, Bei Wang, Peer-Timo Bremer, Michael E. Papka, Larry A. Curtiss, Valerio Pascucci

IEEE Trans. Vis. Comput. Graph., 2016

2001

6-31G* basis set for third-row atoms.

Vitaly A. Rassolov, Mark A. Ratner, John A. Pople, Paul C. Redfern, Larry A. Curtiss

J. Comput. Chem., 2001