3 papers
physics.chem-ph2025
Deep quantum Monte Carlo approach for polaritonic chemistry
Yifan Tang, Gian Marcello Andolina, Alica Cuzzocrea +5
Recent years have witnessed a surge of experimental and theoretical interest in controlling the properties of matter, such as its chemical reactivity, by confining it in optical ca…
physics.chem-ph2025
Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo
Zeno Schätzle, P. Bernát Szabó, Alice Cuzzocrea +2
The accurate quantum chemical calculation of excited states is a challenging task, often requiring computationally demanding methods. When entire ground and excited potential energ…
physics.chem-ph2018
The Anisotropy of the Proton Momentum Distribution in Water
Venkat Kapil, Alice Cuzzocrea, Michele Ceriotti
One of the many peculiar properties of water is the pronounced deviation of the proton momentum distribution from Maxwell-Boltzmann behaviour. This deviation from the classical lim…