O Jonathan Fajen

6PUBLICATIONS
59CO-AUTHORS
Computational chemistryTheoretical quantum chemistryComputational complexity and computabilityRadiation and matterProcedural content generation
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Publications (6)

|Jul 14, 2026
Perspective on a challenge: Predicting the photochemistry of cyclobutanone.

|Mar 05, 2026
Shadow excited state molecular dynamics with the ΔSCF method.

O Jonathan Fajen, Oscar Grånäs, Todd J Martínez

|Feb 26, 2026
Accelerating CCSD(T) on Graphical Processing Units (GPUs).

O Jonathan Fajen, Joseph E Kelly, Edward G Hohenstein

|Nov 23, 2024
Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory.

Eirik F Kjønstad, O Jonathan Fajen, Alexander C Paul

|Nov 06, 2024
Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications.

Yuanheng Wang, Diptarka Hait, K Grace Johnson

|Jun 24, 2024
Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning.

Diptarka Hait, Dean Lahana, O Jonathan Fajen

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Frequent Collaborators

6 joint publications

Todd J Martínez

2 joint publications

Diptarka Hait

2 joint publications

Yuanheng Wang

2 joint publications

Eirik F Kjønstad