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Andrew J Jenkins

15PUBLICATIONS

18CO-AUTHORS

Automated software engineeringComputational chemistryNonlinear optics and spectroscopyChemical thermodynamics and energeticsRadiation and matter

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Publications (15)

Sort by Publication Date:

|Dec 11, 2024

Acceleration without Disruption: DFT Software as a Service.

Fusong Ju, Xinran Wei, Lin Huang

|Apr 22, 2024

Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency.

Kirill D Shumilov, Andrew J Jenkins, Henry S La Pierre

|Apr 01, 2024

Unveiling Hidden Shake-Up Features in the Uranyl M<sub>4</sub>-Edge Spectrum.

Jordan N Ehrman, Kirill Shumilov, Andrew J Jenkins

|Mar 15, 2024

Comparison of Variational and Perturbative Spin-Orbit Coupling within Two-Component CASSCF.

Can Liao, Chad E Hoyer, Rahoul Banerjee Ghosh

|Aug 17, 2023

Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac-Coulomb-Breit-Parameterized Effective Spin-Orbit Coupling.

Jordan Ehrman, Ernesto Martinez-Baez, Andrew J Jenkins

|Jun 26, 2023

Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron-Nuclear Dynamics of Intersystem Crossing.

Don Danilov, Andrew J Jenkins, Michael J Bearpark

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Frequent Collaborators

12 joint publications

Xiaosong Li

5 joint publications

Hongbin Liu

5 joint publications

Joseph M Kasper

2 joint publications

Andrew Wildman

2 joint publications

Lixin Lu

2 joint publications

Ping Yang

2 joint publications

Enrique R Batista

1 joint publications

Filippo Lipparini

1 joint publications

Benedetta Mennucci

1 joint publications

Aurora E Clark

Frequent Collaborators

12 joint publications

Xiaosong Li

5 joint publications

Hongbin Liu

5 joint publications

Joseph M Kasper

2 joint publications

Andrew Wildman

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