Andrew J Jenkins

16PUBLICATIONS
108CO-AUTHORS
Formal methods for softwareAutomated software engineeringComputational chemistryNonlinear optics and spectroscopyChemical thermodynamics and energetics
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Publications (16)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|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 M4-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

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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