Daniel H. Ess

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 4

Top Topics

Machine Learning Models

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Justin K. Kirkland, Jugal Kumawat, Maliheh Shaban Tameh, Tyson Tolman, Allison C. Lambert, Graham R. Lief, Qing Yang, Daniel H. Ess
Machine Learning Models for Predicting Zirconocene Properties and Barriers. J. Chem. Inf. Model. 64 (3) (2024)
Shu-Sen Chen, Zack Meyer, Brendan Jensen, Alex Kraus, Allison Lambert, Daniel H. Ess
ReaLigands: A Ligand Library Cultivated from Experiment and Intended for Molecular Computational Catalyst Design. J. Chem. Inf. Model. 63 (23) (2023)
Steven M. Maley, Graham R. Lief, Richard M. Buck, Orson L. Sydora, Qing Yang, Steven M. Bischof, Daniel H. Ess
Density functional theory and CCSD(T) evaluation of ionization potentials, redox potentials, and bond energies related to zirconocene polymerization catalysts. J. Comput. Chem. 44 (4) (2023)
Bo Yang, David Hawley, Jianhua Yao, Camille May, Jose E. Mendez-Arroyo, Daniel H. Ess
Demonstration of High-Throughput Building Block and Composition Analysis of Metal-Organic Frameworks. J. Chem. Inf. Model. 62 (19) (2022)