Hylleraas Seminar, Gabriel Gerez

Hylleraas Friday seminar, hosted in Tromsø

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Speaker: Gabriel Gerez

Title: Real-space continuum solvation in a multiwavelet basis

Abstract: Most chemical systems of interest occur in a solvent environment, and quantum chemistry software attempts to represent these systems. MRChem, being a Quantum chemistry code, lacks this. The focus of this talk will be to showcase the background and progress of this project, in which I have implemented a PCM framework to the MRChem code. Some results are shown, which show some of the problems faced in this project. This talk builds on the spring meeting flash presentation.

Due to the present situation with the COVID-19 virus, seminars will be shared between Oslo and Tromsø by using the Zoom virtual meeting system.

Published Dec. 3, 2020 4:19 PM - Last modified Dec. 3, 2020 4:19 PM