Mark S Gordon (M S Gordon)

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 14

Top Topics

Density Functional Theory

Top Venues

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Daniel Del Angel Cruz, Katherine N Ferreras, Taylor Harville, George Schoendorff, Mark S Gordon
Analysis of bonding motifs in unusual molecules I: planar hexacoordinated carbon atoms. Physical chemistry chemical physics : PCCP 26 (32) (2024)
Katherine N Ferreras, Taylor Harville, Daniel Del Angel Cruz, Mark S Gordon
Analysis of bonding motifs in unusual molecules II: infinitene. Physical chemistry chemical physics : PCCP 26 (32) (2024)
Katherine N Ferreras, Taylor Harville, Daniel Del Angel Cruz, Mark S Gordon
Analysis of bonding motifs in unusual molecules II: infinitene. Physical chemistry chemical physics : PCCP (2024)
Daniel Del Angel Cruz, Katherine N Ferreras, Taylor Harville, George Schoendorff, Mark S Gordon
Analysis of bonding motifs in unusual molecules I: planar hexacoordinated carbon atoms. Physical chemistry chemical physics : PCCP (2024)
Buu Q Pham, Laura Carrington, Ananta Tiwari, Sarom S Leang, Melisa Alkan, Colleen Bertoni, Dipayan Datta, Tosaporn Sattasathuchana, Peng Xu, Mark S Gordon
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method. The Journal of chemical physics 158 (16) (2023)
Konstantin Komarov, Vladimir Mironov, Seunghoon Lee, Buu Q Pham, Mark S Gordon, Cheol-Ho Choi
High-performance strategies for the recent MRSF-TDDFT in GAMESS. The Journal of chemical physics 158 (19) (2023)
Daniel Del Angel Cruz, Jorge L Galvez Vallejo, Mark S Gordon
Analysis of the bonding in tetrahedrane and phosphorus-substituted tetrahedranes. Physical chemistry chemical physics : PCCP (2023)
Shinae Kim, Justin A Conrad, Garrett M Tow, Edward J Maginn, Jerry A Boatz, Mark S Gordon
Intermolecular interactions in clusters of ethylammonium nitrate and 1-amino-1,2,3-triazole. Physical chemistry chemical physics : PCCP (2023)
Yu Lim Kim, James W Evans, Mark S Gordon
Molecular interactions in diffusion-controlled aldol condensation with mesoporous silica nanoparticles. Physical chemistry chemical physics : PCCP 24 (17) (2022)
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, Jiyoung Lee, Asem Alenaizan, Taylor A Barnes, Carlos H Borca, Roberto Di Remigio, David L Dotson, Sebastian Ehlert, Alexander G Heide, Michael F Herbst, Jan Hermann, Colton B Hicks, Joshua T Horton, Adrian G Hurtado, Peter Kraus, Holger Kruse, Sebastian J R Lee, Jonathon P Misiewicz, Levi N Naden, Farhad Ramezanghorbani, Maximilian Scheurer, Jeffrey B Schriber, Andrew C Simmonett, Johannes Steinmetzer, Jeffrey R Wagner, Logan Ward, Matthew Welborn, Doaa Altarawy, Jamshed Anwar, John D Chodera, Andreas Dreuw, Heather J Kulik, Fang Liu, Todd J Martinez, Devin A Matthews, Henry F Schaefer, Jiřı Šponer, Justin M Turney, Lee-Ping Wang, Nuwan De Silva, Rollin A King, John F Stanton, Mark S Gordon, Theresa L Windus, C David Sherrill, Lori A Burns
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of chemical physics 155 (20) (2021)
Valérie Brenner, Thibaut Véry, Michael W Schmidt, Mark S Gordon, Sophie Hoyau, Nadia Ben Amor
Model protein excited states: MRCI calculations with large active spaces vs CC2 method. The Journal of chemical physics 154 (21) (2021)
Federico Zahariev, Mark S Gordon
Combined quantum Monte Carlo - effective fragment molecular orbital method: fragmentation across covalent bonds. Physical chemistry chemical physics : PCCP 23 (26) (2021)
Joani Mato, Mark S Gordon
Analytic non-adiabatic couplings for the spin-flip ORMAS method. Physical chemistry chemical physics : PCCP 22 (3) (2019)
Justin A Conrad, Shinae Kim, Mark S Gordon
Ionic liquids from a fragmented perspective. Physical chemistry chemical physics : PCCP 21 (31) (2019)