Giacomo Miceli
- Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions
2015/01/15 by Giacomo Miceli, Stefano de Gironcoli, Alfredo Pasquarello · 84 citations
Chemistry · Physics and Astronomy · #Chemical physics #Chemistry #Computational chemistry #Density functional theory #Dimer #Hydrogen bond #Ice Ih #Interaction energy #Intermolecular force #Isobaric process #Liquid water #London dispersion force #Molecular dynamics #Molecule #Physics #Quantum, superfluid, helium dynamics #Spectroscopy and Quantum Chemical Studies #Statistical physics #Theoretical and Computational Physics #Thermodynamics #Van der Waals radius #Water dimer #Water model #cond-mat.soft #physics.chem-ph #van der Waals force