954 citations · 2.7k across the 30 of their papers we have counts for
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cond-mat.mtrl-sci2024★ 34 cited
How accurate are simulations and experiments for the lattice energies of molecular crystals?
Flaviano Della Pia, Andrea Zen, Dario Alfè +1
Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to m…
physics.comp-ph2024★ 5 cited
Beyond single-reference fixed-node approximation in ab initio Diffusion Monte Carlo using antisymmetrized geminal power applied to systems with hundreds of electrons
Kousuke Nakano, Sandro Sorella, Dario Alfè +1
Diffusion Monte Carlo (DMC) is an exact technique to project out the ground state (GS) of a Hamiltonian. Since the GS is always bosonic, in fermionic systems the projection needs t…