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Jeremy P Coe

7PUBLICATIONS

5CO-AUTHORS

Formal methods for softwareTheoretical quantum chemistryRadiation and matterModelling and simulationNeural networks

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Publications (7)

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|Dec 07, 2023

Modular Approach to Selected Configuration Interaction in an Arbitrary Spin Basis: Implementation and Comparison of Approaches.

Andrew W Prentice, Jeremy P Coe, Martin J Paterson

|Nov 08, 2023

Analytic Non-adiabatic Couplings for Selected Configuration Interaction via Approximate Degenerate Coupled Perturbed Hartree-Fock.

Jeremy P Coe

|Jan 19, 2023

Analytic Gradients for Selected Configuration Interaction.

Jeremy P Coe

|Oct 05, 2022

Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction.

Jeremy P Coe, Andrés Moreno Carrascosa, Mats Simmermacher

|Oct 04, 2022

Towards high-resolution X-ray scattering as a probe of electron correlation.

Andrés Moreno Carrascosa, Jeremy P Coe, Mats Simmermacher

|Oct 18, 2019

Machine Learning Configuration Interaction for ab Initio Potential Energy Curves.

Jeremy P Coe

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Frequent Collaborators

3 joint publications

Martin J Paterson

2 joint publications

Adam Kirrander

1 joint publications

Andrés Moreno Carrascosa

1 joint publications

Mats Simmermacher

1 joint publications

Andrew W Prentice

Frequent Collaborators

3 joint publications

Martin J Paterson

2 joint publications

Adam Kirrander

1 joint publications

Andrés Moreno Carrascosa

1 joint publications

Mats Simmermacher

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