Category: News

Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts

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)…
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ERC TAME Plasmons Closing Workshop

We were present at the ERC TAME PLASMONS CLOSING WORKSHOP 2021. 22-24 September 2021 Tommaso was an invited speaker and held a presentation with the title Nanoplasmonics of Noble Metal Nanoparticles: A Classical Atomistic Model. Congrats Tommaso! Our frequency-dependent fluctuating charges model (wFQ)  was presented highlighting the high accuracy of the model in reproducing both…
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