about
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model.Toward Accurate Adsorption Energetics on Clay Surfaces.Using dynamics-based comparisons to predict nucleic acid binding sites in proteins: an application to OB-fold domains.Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule.Optimized Structure and Vibrational Properties by Error Affected Potential Energy SurfacesCorrespondences between low-energy modes in enzymes: dynamics-based alignment of enzymatic functional families.Properties of reactive oxygen species by quantum Monte Carlo.Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz.Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces.Ice formation on kaolinite: Insights from molecular dynamics simulations.Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.Fast and accurate quantum Monte Carlo for molecular crystals.Percolation transition in a dynamically clustered network.Boosting the accuracy and speed of quantum Monte Carlo: Size consistency and time stepAb initio molecular dynamics with noisy forces: validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational propertiesAb initio molecular dynamics simulation of liquid water by quantum Monte CarloFinite-temperature electronic simulations without the Born-Oppenheimer constraintA new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function biasPhysisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure MethodsInteraction between water and carbon nanostructures: How good are current density functional approximations?TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
P50
Q31102557-24F00626-C7BC-470F-9344-84129DA15A31Q35170304-BDC2B4BE-F4DA-4A71-9C94-1CB9FC296E71Q37449446-CDA1588A-E47E-4ED5-9A68-3EE58A47CAA0Q38353618-7418AAD6-59C6-4CDE-AE56-F8D6039685A9Q41858659-B35D03C9-E289-4421-A677-E059D1DE5F15Q41995979-453655F5-F6AE-449D-92B0-C2C6562E3630Q42090484-062B6DC7-92BD-4387-A123-1682D7297F70Q46868880-895508E9-A2F2-45F9-8613-0D06673D2BC0Q46922587-BA662D7F-2C62-4315-A3BD-122EF929EC5EQ47615928-172D0745-4C36-448A-AA4B-99514C82641AQ47932456-1F288DE4-0478-47FE-8031-0E60A5DD0840Q47948204-1B54D789-433F-4326-99CB-375F52F60142Q50063756-1A08844E-E855-4826-B19F-50DE9E60D441Q51904131-490F1E94-D327-4363-898A-C7E7A3A1D379Q60183034-032C0FD9-FE7C-4E1C-826C-F7A4C2050BD2Q86039056-8B7E2B2B-35E1-45FC-8470-C4FA2A47A1EDQ87121282-FB9964CC-CEAE-429A-B41F-3682B8958FCBQ87413323-15E729AD-F3C6-4771-B9ED-9CA50B51958BQ90594308-A0248312-68FA-4ECB-8C67-D6B5C0BA8EBFQ90921033-59874EA0-1AAE-4E92-94E9-D26A1A829FCCQ91058522-704683D4-47B6-409E-8E85-05CC124ABCD5Q96119318-C9235E24-8C35-4835-B74E-0F8DEF5F4EAC
P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Andrea Zen
@ast
Andrea Zen
@en
Andrea Zen
@es
Andrea Zen
@nl
Andrea Zen
@sl
type
label
Andrea Zen
@ast
Andrea Zen
@en
Andrea Zen
@es
Andrea Zen
@nl
Andrea Zen
@sl
prefLabel
Andrea Zen
@ast
Andrea Zen
@en
Andrea Zen
@es
Andrea Zen
@nl
Andrea Zen
@sl
P106
P31
P496
0000-0002-7648-4078