Ashleigh L Barnes

3PUBLICATIONS
5CO-AUTHORS
Computational chemistryMathematical aspects of general relativityCondensed matter modelling and density functional theory
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Publications (3)

|Jan 21, 2025
The divide expand consolidate scheme for unrestricted second order Møller-Plesset perturbation theory ground state energies.

Magnus Bukhave Johansen, Andreas Erbs Hillers-Bendtsen, Hector H Corzo

|Apr 15, 2023
Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations.

Andreas Erbs Hillers-Bendtsen, Dmytro Bykov, Ashleigh Barnes

|Sep 13, 2019
Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in the Mg-MOF-74 Metal-Organic Framework.

Ashleigh L Barnes, Dmytro Bykov, Dmitry I Lyakh

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Frequent Collaborators

2 joint publications

Andreas Erbs Hillers-Bendtsen

2 joint publications

Dmytro Bykov

2 joint publications

Kurt V Mikkelsen

1 joint publications

Jeppe Olsen