Edoardo Aprà
24PUBLICATIONS
81CO-AUTHORS
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Publications (24)
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|Nov 05, 2025
Recent Improvements to the NWChem COSMO Module.Rafael de P Soares, Daniel Mejía-Rodriguez, Edoardo Aprà
|Oct 21, 2024
Electronic structure simulations in the cloud computing environment.Eric J Bylaska, Ajay Panyala, Nicholas P Bauman
|Nov 08, 2023
G0W0 Ionization Potentials of First-Row Transition Metal Aqua Ions.Daniel Mejia-Rodriguez, Alexander A Kunitsa, John L Fulton
|Jul 31, 2023
Lignin with controlled structural properties by N-heterocycle-based deep eutectic solvent extraction.Kuan-Ting Lin, Chenxi Wang, Mond F Guo
|Jul 17, 2023
NWChem: Recent and Ongoing Developments.Daniel Mejia-Rodriguez, Edoardo Aprà, Jochen Autschbach
|Jan 24, 2023
A critical comparison of CH⋯π versus π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methods.Kristina M Herman, Edoardo Aprà, Sotiris S Xantheas
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Frequent Collaborators
6 joint publications
Niranjan Govind
6 joint publications
Daniel Mejia-Rodriguez
6 joint publications
Sotiris S Xantheas
5 joint publications
Patrick Z El-Khoury
5 joint publications
Carsten Jenne
5 joint publications
Jonas Warneke
4 joint publications
Karol Kowalski
4 joint publications
Markus Rohdenburg
3 joint publications
Eric J Bylaska
3 joint publications
Vladimir A Azov
