64 citations · 180 across the 13 of their papers we have counts for
13 papers
Implementing Dimer Metadynamics using GROMACS
M Nava
We develop a Gromacs implementation of Dimer Metadynamics[JCTC 13, 425 (2017)] for enhanced sampling through artificial delocalization effects. This implementation is based entirel…
Prediction for two spatially modulated superfluids: He on fluorographene and on hexagonal BN
Pier Luigi Silvestrelli, Marco Nava, Francesco Ancilotto +1
We have derived the adsorption potential of He atoms on fluorographene (GF), on graphane and on hexagonal boron nitride (hBN) by a recently developed ab initio method that inco…
Quantum symmetry from enhanced sampling methods
Johan Runeson, Marco Nava, Michele Parrinello
We address the problem of the minus sign sampling for two electron systems using the path integral approach. We show that this problem can be reexpressed as one of computing free e…
Dimer Metadynamics
Marco Nava, Ferruccio Palazzesi, Claudio Perego +1
Sampling complex potential energies is one of the most pressing challenges of contemporary computational science. Inspired by recent efforts that use quantum effects and discretize…
Mixing Effects in the Crystallization of Supercooled Quantum Binary Liquids
M. Kühnel, J. M. Fernández, F. Tramonto +7
By means of Raman spectroscopy of liquid microjets we have investigated the crystallization process of supercooled quantum liquid mixtures composed of parahydrogen (pH) diluted…
Path Integral Monte Carlo study confirms a highly ordered snowball in 4He nanodroplets doped with an Ar+ ion
Filippo Tramonto, Paolo Salvestrini, Marco Nava +1
By means of the exact Path Integral Monte Carlo method we have performed a detailed microscopic study of He nanodroplets doped with an argon ion, Ar, at K. We have…