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20182022
most citedInfluence of Boundaries and Thermostatting on Nonequilibrium Molecular Dynamics Simulations of Heat Conduction in Solids

225 citations · 317 across the 5 of their papers we have counts for

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physics.chem-ph2021★ 25 cited

UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning

Zekun Chen, Fernanda C. Bononi, Charles A. Sievers +2

Predicting UV-visible absorption spectra is essential to understanding photochemical processes and designing energy materials. Quantum chemical methods can deliver accurate calcula…