Cuzzocrea, Alice
- i-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations
2018/08/11 by Kapil, Venkat, Rossi, Mariana, Marsalek, Ondrej +23 · 6 citations
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- Reference excitation energies of increasingly large molecules: a QMC study of cyanine dyes
2021/11/18 by Cuzzocrea, Alice, Moroni, Saverio, Scemama, Anthony +1 · 1 citation
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences
- Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo
2025/03/25 by Zeno Schätzle, P. Bernát Szabó, Schätzle, Zeno +6 · 2 voices · 1 citation
#physics.chem-ph #cs.LG #physics.comp-ph