Month: October 2021

The new paper from Matteo Ambrosetti, Sulejman Skoko, Tommaso Giovannini, and Chiara Cappelli has just been published in the Journal of Chemical Theory and Computation, with the title “Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts” https://pubs.acs.org/doi/10.1021/acs.jctc.1c00763. In this work, the authors have used a genetic algorithm in the optimization of the fluctuating charges (FQ)…
Read more