Martin Head-Gordon

According to our database, Martin Head-Gordon authored at least 7 papers between 2000 and 2021.

Collaborative distances:

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

2021

Combining Programmable Potentials and Neural Networks for Materials Problems.

Ryan Mohr, Allan M. Avila, Soham Ghosh, Ananta Bhattarai, Muqiao Yang, Xintian Feng, Martin Head-Gordon, Ruslan Salakhutdinov, Maria Fonoberova, Igor Mezic

Proceedings of the AAAI 2021 Spring Symposium on Combining Artificial Intelligence and Machine Learning with Physical Sciences, Stanford, CA, USA, March 22nd - to, 2021

2007

Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity.

Yousung Jung, Yihan Shao, Martin Head-Gordon

J. Comput. Chem., 2007

An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis.

Robert A. Distasio Jr., Ryan P. Steele, Young Min Rhee, Yihan Shao, Martin Head-Gordon

J. Comput. Chem., 2007

2003

Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks.

Chandra Saravanan, Yihan Shao, Roi Baer, Philip N. Ross, Martin Head-Gordon

J. Comput. Chem., 2003

Local Correlation Models.

Martin Head-Gordon, Troy A. Van Voorhis, Gregory J. O. Beran, Barry Dunietz

Proceedings of the Computational Science - ICCS 2003, 2003

2000

Q-Chem 2.0: a high-performance ab initio electronic structure program package.

Jing Kong, Christopher A. White, Anna I. Krylov, David Sherrill, Ross D. Adamson, Thomas R. Furlani, Michael S. Lee, Aaron M. Lee, Steven R. Gwaltney, Terry R. Adams, Christian Ochsenfeld, Andrew T. B. Gilbert, Gary S. Kedziora, Vitaly A. Rassolov, David R. Maurice, Nikhil Nair, Yihan Shao, Nicholas A. Besley, Paul E. Maslen, Jeremy P. Dombroski, Holger Daschel, Weimin Zhang, Prakashan P. Korambath, Jon Baker, Edward F. C. Byrd, Troy A. Van Voorhis, Manabu Oumi, So Hirata, Chao-Ping Hsu, Naoto Ishikawa, Jan Florián, Arieh Warshel, Benny G. Johnson, Peter M. W. Gill, Martin Head-Gordon, John A. Pople

J. Comput. Chem., 2000

Absolute and Relative Energies From Polarized Atomic Orbital Self-consistent Field Calculations and a Second Order Correction.: Convergence with Size and Composition of the Secondary Basis.

Michael S. Lee, Martin Head-Gordon

Comput. Chem., 2000