about
Nanofriction behavior of cluster-assembled carbon films.Length-dependent thermal conductivity in suspended single-layer graphene.Crystal structure transformations in SiO2 from classical and ab initio metadynamics.Hyperbranched unsaturated polyphosphates as a protective matrix for long-term photon upconversion in air.Tuning thermal transport in ultrathin silicon membranes by surface nanoscale engineering.Simulating Energy Relaxation in Pump-Probe Vibrational Spectroscopy of Hydrogen-Bonded Liquids.Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite.Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice.Nucleation of tetrahedral solids: A molecular dynamics study of supercooled liquid silicon.Surface-induced crystallization in supercooled tetrahedral liquids.Thermal transport in nanoporous silicon: interplay between disorder at mesoscopic and atomic scales.Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials.Effect of van der Waals interactions on the chemisorption and physisorption of phenol and phenoxy on metal surfaces.Lattice thermal conductivity of semiconducting bulk materials: atomistic simulations.Bimodal Grain-Size Scaling of Thermal Transport in Polycrystalline Graphene from Large-Scale Molecular Dynamics Simulations.From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations.Morphology and temperature dependence of the thermal conductivity of nanoporous SiGe.First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals.Temperature dependence of the thermal conductivity of thin silicon nanowires.Molecular dynamics study of the solvation of calcium carbonate in water.Autocatalytic and cooperatively stabilized dissociation of water on a stepped platinum surface.Exploring the rehydroxylation reaction of pyrophyllite by ab initio molecular dynamics.DFT research on the dehydroxylation reaction of pyrophyllite 2. Characterization of reactants, intermediates, and transition states along the reaction path.Blocking Phonon Transport by Structural Resonances in Alloy-Based Nanophononic Metamaterials Leads to Ultralow Thermal Conductivity.Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers.Interaction of charged amino-acid side chains with ions: an optimization strategy for classical force fields.Atomistic simulations of heat transport in silicon nanowires.Influence of temperature and anisotropic pressure on the phase transitions in alpha-cristobalite.DFT research on the dehydroxylation reaction of pyrophyllite 1. First-principle molecular dynamics simulations.Thermal conductivity of isolated and interacting carbon nanotubes: comparing results from molecular dynamics and the boltzmann transport equation.Topological defects and bulk melting of hexagonal ice.Hamiltonian adaptive resolution simulation for molecular liquids.Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature.PLUMED: A portable plugin for free-energy calculations with molecular dynamicsA unified framework for force-based and energy-based adaptive resolution simulationsCombined Experimental and Theoretical Investigation of Heating Rate on Growth of Iron Oxide NanoparticlesStatistical mechanics of Hamiltonian adaptive resolution simulationsNuclear Quantum Effects in Water: A Multiscale StudyMonte Carlo Adaptive Resolution Simulation of Multicomponent Molecular LiquidsAn electrochemical thermal transistor
P50
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P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Davide Donadio
@ast
Davide Donadio
@en
Davide Donadio
@es
Davide Donadio
@nl
Davide Donadio
@sl
type
label
Davide Donadio
@ast
Davide Donadio
@en
Davide Donadio
@es
Davide Donadio
@nl
Davide Donadio
@sl
prefLabel
Davide Donadio
@ast
Davide Donadio
@en
Davide Donadio
@es
Davide Donadio
@nl
Davide Donadio
@sl
P106
P1153
7005749298
P21
P31
P496
0000-0002-2150-4182