[QE-developers] Inquiry: Quantum Espresso

Galina Galina galina.durant at gmail.com
Mon Nov 8 18:53:54 CET 2021


Dear Quantum Espresso,

Would you please let me know whether your package has a 3D-RISM-SCF module
(freeware) that we would use for quantum chemistry calculations of CO2+H2
reduction reaction on nanocatalysts in dense solvent / solutions?
If not, are you planning to implement it in the near future?

Thank you,

Galina
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