Mark S Gordon

21PUBLICATIONS
44CO-AUTHORS
Theoretical quantum chemistryProcedural content generationMetal organic frameworksCatalysis and mechanisms of reactionsPolymerisation mechanisms
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Publications (21)

|Sep 22, 2026
Breaking bonds on graphical processing units: Scalable implementations of the density-fitted CR-CC(2,3) and ΛCCSD(T) approaches.

|Jun 05, 2026
Electron repulsion integral evaluation over f-type functions on GPUs via OpenMP offloading.

|Dec 11, 2025
Theoretical study of Si/C alternately substituted annulenes with a belt structure.

Takako Kudo, Katherine N Ferreras, Taiji Nakamura

|Sep 09, 2025
Water catalytic effect on the carbinolamine reaction with amine-catalyzed mesoporous silica nanoparticles.

Yu Lim Kim, Mark S Gordon

|Jul 22, 2025
Diffusion-mediated passing of molecular species in linear nanopores constrained by orientational alignment.

Yong Han, Md Khaledur Rahman, Yu Lim Kim

|Aug 22, 2024
LibERI-A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism.

Melisa Alkan, Buu Q Pham, Daniel Del Angel Cruz

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Frequent Collaborators

4 joint publications

Daniel Del Angel Cruz

3 joint publications

George Schoendorff

3 joint publications

Buu Q Pham

2 joint publications

Federico Zahariev