Davide Donadio

Q: What Schools Are Affiliated With Davide Donadio

Davide Donadio is affiliated with the following schools: University of California, Berkeley, University of Milan, ETH Zurich, University of California, Davis, Stanford University, Polytechnic University of Turin

Davide Donadio's AcademicInfluence.com Rankings

Davide Donadio

Physics

#7249

World Rank

#9267

Historical Rank

physics Degrees

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Physics

Davide Donadio's Degrees

PhD Physics University of California, Berkeley
Masters Physics University of California, Berkeley
Bachelors Physics University of Milan

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Davide Donadio's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Canonical sampling through velocity rescaling. (2007) (10313)
PLUMED: A portable plugin for free-energy calculations with molecular dynamics (2009) (1266)
Length-dependent thermal conductivity in suspended single-layer graphene (2014) (716)
Promoting transparency and reproducibility in enhanced molecular simulations (2019) (437)
Atomistic simulations of heat transport in silicon nanowires. (2009) (228)
Homogeneous ice nucleation from supercooled water. (2011) (205)
Freezing of a Lennard-Jones fluid: from nucleation to spinodal regime. (2006) (194)
Crystal structure transformations in SiO2 from classical and ab initio metadynamics (2006) (170)
Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential. (2008) (170)
Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations (2015) (153)
Thermal conductivity of isolated and interacting carbon nanotubes: comparing results from molecular dynamics and the boltzmann transport equation. (2007) (151)
Nanophononics: state of the art and perspectives (2016) (145)
Temperature dependence of the thermal conductivity of thin silicon nanowires. (2010) (142)
Hamiltonian adaptive resolution simulation for molecular liquids. (2012) (132)
First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals. (2011) (128)
Blocking Phonon Transport by Structural Resonances in Alloy-Based Nanophononic Metamaterials Leads to Ultralow Thermal Conductivity. (2016) (125)
Divergence of the thermal conductivity in uniaxially strained graphene (2013) (118)
Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice (2016) (115)
Thermal transport in nanoporous silicon: interplay between disorder at mesoscopic and atomic scales. (2011) (113)
Ice nucleation at the nanoscale probes no man’s land of water (2013) (110)
Lattice thermal conductivity of semiconducting bulk materials: atomistic simulations. (2012) (103)
Tuning thermal transport in ultrathin silicon membranes by surface nanoscale engineering. (2015) (103)
Hyperbranched unsaturated polyphosphates as a protective matrix for long-term photon upconversion in air. (2014) (99)
Heat transport in amorphous silicon: Interplay between morphology and disorder (2011) (98)
Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids. (2019) (90)
Thermal conductivity decomposition in two-dimensional materials: Application to graphene (2016) (89)
Highly anisotropic thermal conductivity of arsenene: An ab initio study (2015) (87)
Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach (2019) (83)
An electrochemical thermal transistor (2018) (80)
Dehydroxylation and Silanization of the Surfaces of β-Cristobalite Silica: An ab Initio Simulation (2001) (79)
Surface-induced crystallization in supercooled tetrahedral liquids. (2008) (77)
Polyamorphism of ice at low temperatures from constant-pressure simulations. (2004) (75)
GROWTH OF NANOSTRUCTURED CARBON FILMS BY CLUSTER ASSEMBLY (1999) (75)
Stability of hydrocarbons at deep Earth pressures and temperatures (2011) (69)
Particle formation in the emulsion-solvent evaporation process. (2013) (67)
Evolution of the structure of amorphous ice: from low-density amorphous through high-density amorphous to very high-density amorphous ice. (2005) (64)
Molecular dynamics study of the solvation of calcium carbonate in water. (2007) (61)
Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite (2016) (61)
“Site Binding” of Ca2+ Ions to Polyacrylates in Water: A Molecular Dynamics Study of Coiling and Aggregation (2007) (58)
Monte carlo adaptive resolution simulation of multicomponent molecular liquids. (2013) (58)
Ab initio simulations of photoinduced interconversions of oxygen deficient centers in amorphous silica. (2001) (58)
Pressure‐induced phase transitions in silicon studied by neural network‐based metadynamics simulations (2008) (56)
Topological defects and bulk melting of hexagonal ice. (2005) (55)
Native surface oxide turns alloyed silicon membranes into nanophononic metamaterials with ultralow thermal conductivity (2017) (51)
Thermal transport in phase-change materials from atomistic simulations (2012) (51)
Morphology and temperature dependence of the thermal conductivity of nanoporous SiGe. (2011) (48)
Quasi-Ballistic Thermal Transport Across MoS2 Thin Films. (2019) (47)
Autocatalytic and cooperatively stabilized dissociation of water on a stepped platinum surface. (2012) (46)
Mechanical Tuning of Thermal Transport in a Molecular Junction (2015) (45)
Statistical mechanics of Hamiltonian adaptive resolution simulations. (2014) (44)
From four- to six-coordinated silica: Transformation pathways from metadynamics (2007) (43)
Nuclear Quantum Effects in Water: A Multiscale Study. (2014) (43)
A Strategy to Suppress Phonon Transport in Molecular Junctions Using π-Stacked Systems (2017) (43)
Dimensionality and heat transport in Si-Ge superlattices (2013) (43)
DFT research on the dehydroxylation reaction of pyrophyllite 1. First-principle molecular dynamics simulations. (2008) (42)
Electron-phonon interaction and thermal boundary resistance at the crystal-amorphous interface of the phase change compound GeTe (2015) (40)
Direct observation of ultrafast hydrogen bond strengthening in liquid water (2020) (40)
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials. (2016) (39)
First-Principle Analysis of the IR Stretching Band of Liquid Water (2010) (38)
Interaction of charged amino-acid side chains with ions: an optimization strategy for classical force fields. (2014) (35)
Cluster expansion and optimization of thermal conductivity in SiGe nanowires (2010) (35)
Photoelasticity of sodium silicate glass from first principles (2004) (33)
Nucleation of tetrahedral solids: A molecular dynamics study of supercooled liquid silicon. (2009) (31)
Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature. (2017) (30)
Electronic effects in the IR spectrum of water under confinement. (2009) (29)
Combined Experimental and Theoretical Investigation of Heating Rate on Growth of Iron Oxide Nanoparticles (2017) (29)
High Seebeck Coefficient and Unusually Low Thermal Conductivity Near Ambient Temperatures in Layered Compound Yb2–xEuxCdSb2 (2018) (29)
Structure and Dynamics of the Quasi-Liquid Layer at the Surface of Ice from Molecular Simulations (2018) (29)
Influence of Temperature and Anisotropic Pressure on the Phase Transitions inα-Cristobalite (2008) (28)
Thermal conductivity of one-, two- and three-dimensional sp2 carbon (2013) (27)
Probing properties of water under confinement: infrared spectra. (2008) (27)
Strongly tunable anisotropic thermal transport in MoS2 by strain and lithium intercalation: first-principles calculations (2019) (27)
Bimodal Grain-Size Scaling of Thermal Transport in Polycrystalline Graphene from Large-Scale Molecular Dynamics Simulations. (2017) (26)
Trends in the Adsorption and Dissociation of Water Clusters on Flat and Stepped Metallic Surfaces (2014) (26)
Ab initio investigation of the melting line of nitrogen at high pressure (2010) (26)
Flexible and Ultrasoft Inorganic 1D Semiconductor and Heterostructure Systems Based on SnIP (2019) (26)
Adsorption of Dichlorobenzene on Au and Pt Stepped Surfaces Using van der Waals Density Functional Theory (2012) (25)
Photoelasticity of crystalline and amorphous silica from first principles (2003) (25)
Thermal transport in free-standing silicon membranes: influence of dimensional reduction and surface nanostructures (2015) (24)
A unified framework for force-based and energy-based adaptive resolution simulations (2014) (23)
DFT research on the dehydroxylation reaction of pyrophyllite 2. Characterization of reactants, intermediates, and transition states along the reaction path. (2008) (22)
Structural Complexity and High Thermoelectric Performance of the Zintl Phase: Yb21Mn4Sb18 (2019) (20)
Efficient anharmonic lattice dynamics calculations of thermal transport in crystalline and disordered solids (2020) (19)
From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. (2016) (19)
Transferability of neural network potentials for varying stoichiometry: Phonons and thermal conductivity of MnxGey compounds (2020) (19)
Enhanced thermoelectric performance of two dimensional MS2 (M = Mo, W) through phase engineering (2018) (19)
Tuning the Adsorption of Aromatic Molecules on Platinum via Halogenation (2014) (19)
Atomistic calculation of the thermal conductance of large scale bulk-nanowire junctions (2011) (18)
Exploring the rehydroxylation reaction of pyrophyllite by ab initio molecular dynamics. (2010) (17)
Thermoelectric materials: Silicon stops heat in its tracks. (2010) (17)
III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs8In27Sb19 and A8Ga27Sb19 (A = Cs, Rb). (2020) (17)
Atomistic simulations of thermal conductivity in GeTe nanowires (2019) (16)
Effect of van der Waals interactions on the chemisorption and physisorption of phenol and phenoxy on metal surfaces. (2016) (16)
Efficient thermal diode with ballistic spacer. (2017) (16)
Simulating Energy Relaxation in Pump-Probe Vibrational Spectroscopy of Hydrogen-Bonded Liquids. (2017) (15)
The interplay between surface–water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111) (2007) (15)
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations (2016) (15)
Atomistic simulations of heat transport in real-scale silicon nanowire devices (2012) (14)
Thermal transport across graphene step junctions (2018) (14)
Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers. (2016) (13)
Migration of positively charged defects in (alpha)-quartz (2007) (13)
Anisotropic In-Plane Phonon Transport in Silicon Membranes Guided by Nanoscale Surface Resonators (2019) (11)
Photodecay of guaiacol is faster in ice, and even more rapid on ice, than in aqueous solution. (2020) (11)
Optimal thickness of silicon membranes to achieve maximum thermoelectric efficiency: A first principles study (2016) (11)
Dissociative Adsorption of Water at (211) Stepped Metallic Surfaces by First-Principles Simulations (2017) (10)
Thermal transport in amorphous small organic materials: a mechanistic study. (2020) (10)
Theoretical investigation of methane under pressure. (2009) (10)
Erratum: Thermal Conductivity of Isolated and Interacting Carbon Nanotubes: Comparing Results from Molecular Dynamics and the Boltzmann Transport Equation [Phys. Rev. Lett.99, 255502 (2007)] (2009) (9)
Simulation of the grafting of organosilanes at the surface of dry amorphous silica (2008) (9)
Simulation of atomic force microscopy of fractal nanostructured carbon films (2001) (9)
Ultrahigh Convergent Thermal Conductivity of Carbon Nanotubes from Comprehensive Atomistic Modeling. (2021) (9)
Energy Relaxation and Thermal Diffusion in Infrared Pump-Probe Spectroscopy of Hydrogen-Bonded Liquids. (2019) (8)
Molecular Mechanism of Crystal Growth Inhibition at the Calcium Oxalate/Water Interfaces (2016) (8)
Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. (2011) (8)
Solid Solution Yb2-xCaxCdSb2: Structure, Thermoelectric Properties, and Quality Factor. (2021) (8)
Engineering Thermal Transport across Layered Graphene-MoS2 Superlattices. (2021) (8)
Bathochromic Shift in the UV-Visible Absorption Spectra of Phenols at Ice Surfaces: Insights from First-Principles Calculations. (2020) (8)
Ab initio characterization of graphene nanoribbons and their polymer precursors (2012) (8)
Mode localization and suppressed heat transport in amorphous alloys (2020) (8)
Water on Pt(111): the importance of proton disorder (2007) (7)
Elastic moduli of nanostructured carbon films (2004) (7)
Water Release from Pyrophyllite during the Dehydroxylation Process Explored by Quantum Mechanical Simulations (2013) (7)
Molecular simulation of oligo-glutamates in a calcium-rich aqueous solution: insights into peptide-induced polymorph selection (2015) (7)
Nanofriction behavior of cluster-assembled carbon films. (2002) (6)
Influence of temperature and anisotropic pressure on the phase transitions in alpha-cristobalite. (2008) (6)
Beating the Thermal Conductivity Alloy Limit Using Long-Period Compositionally Graded Si1–xGex Superlattices (2020) (6)
Adsorption of polyiodobenzene molecules on the Pt(111) surface using van der Waals density functional theory (2016) (6)
Freezing point depression in model Lennard-Jones solutions (2015) (6)
Simulation of Dimensionality Effects in Thermal Transport (2015) (5)
Practical algorithms to facilitate large-scale first-principles molecular dynamics (2009) (5)
Advances in the optimization of silicon-based thermoelectrics: a theory perspective (2019) (5)
Effect of crystallinity and thickness on thermal transport in layered PtSe2 (2022) (5)
Non-equilibrium dynamics and structure of interfacial ice (2006) (4)
Carbon dioxide, bicarbonate and carbonate ions in aqueous solutions under deep Earth conditions. (2020) (4)
Publisher Correction: An electrochemical thermal transistor (2019) (3)
Selective adsorption of a supramolecular structure on flat and stepped gold surfaces (2017) (3)
Thermal Transport: Overview (2020) (2)
Atomic scale characterization of nanostructured a-C:H films (2002) (2)
Thermal transport in finite-size van der Waals materials: Modeling and Simulations (2018) (2)
Enhanced photodegradation of dimethoxybenzene isomers in/on ice compared to in aqueous solution (2021) (2)
Mn-intercalated MoSe2 under pressure: Electronic structure and vibrational characterization of a dilute magnetic semiconductor. (2019) (2)
Covalent Cluster-Assembled Carbon Solids (2001) (1)
Ab initio investigation of the melting line of molecular nitrogen at high pressure (2010) (1)
Thermal transport in free-standing silicon membranes: influence of dimensional reduction and surface nanostructures (2015) (1)
Phonon dynamics and thermal conductivity of PtSe2 thin films: Impact of crystallinity and film thickness on heat dissipation (2021) (1)
Non-Fourier heat transport in nanosystems (2022) (1)
Unprecedented superstructure in the type I family of clathrates (2021) (1)
Evolution of structure and transport properties of the Ba8Cu16P30 clathrate-I framework with the introduction of Ga (2022) (1)
Publisher's Note: Heat transport in amorphous silicon: Interplay between morphology and disorder [Appl. Phys. Lett. 98, 144101 (2011)] (2011) (1)
UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning. (2021) (1)
The effect of temperature and anisotropic pressure on the phase transitions in $\alpha$-cristobalite (2008) (1)
PbTe/PbSe Thermoelectric Nanocomposites: The Impact of Length Modulations on Lowering Thermal Conductivity (2022) (1)
Adsorption of halogenated molecule on stepped metallic surfaces: the role of van der Waals interactions (2012) (0)
Thermal conductivity of one-, two- and three-dimensional carbon (2021) (0)
Large Scale molecular dynamics simulations of the crystallization of GeTe at the crystal-amorphous interface (2012) (0)
Erratum: Photoelasticity of sodium silicate glass from first principles [Phys. Rev. B 70, 214205 (2004)] (2006) (0)
A Hamiltonian theory of adaptive resolution simulations of classical and quantum models of nuclei (2015) (0)
Largely tunable anisotropic thermal conductivity of pristine and lithiated MoS 2 (2018) (0)
Directed phonon engineering in nanostructured Mn-Ge superlattices: Towards a description of heat transport in device-like structures (2014) (0)
Vibrational properties of water under confinement: Electronic effects (2008) (0)
Atomistic models of Si nanocrystals embedded in Si-rich nitride and oxide matrices (2010) (0)
Hybrid Materials: Flexible and Ultrasoft Inorganic 1D Semiconductor and Heterostructure Systems Based on SnIP (Adv. Funct. Mater. 18/2019) (2019) (0)
Crystal grain boundaries as efficient phonon scatterers: A computational approach to hierarchical thermoelectrics design (2013) (0)
M ar 2 00 8 Canonical sampling through velocity-rescaling (2021) (0)
Evolution of the structure of amorphous ice - from LDA through HDA to VHDA (2005) (0)
ProtonWiresviaOne-DimensionalWaterChainsAdsorbedonMetallic Steps (2011) (0)
New Trick for an Old Dog: From Prediction to Properties of "Hidden Clathrates" Ba2Zn5As6 and Ba2Zn5Sb6. (2023) (0)
Aromatic molecules at ice surfaces: solvation and light absorption (2019) (0)
Nucleationand surface induced crystallization in supercooled liquid water (2010) (0)
Methane under pressure: dissociation reactions from ab initio simulation (2010) (0)
Title Optimal thickness of silicon membranes to achieve maximum thermoelectric efficiency : A first principles study (2016) (0)
Thermal conductivity decomposition in two-dimensional materials (2017) (0)
Nanophononics: state of the art and perspectives (2016) (0)
A comparative study of thermal transport in crystalline,amorphous and nano-porous silicon (2010) (0)
Atomistic simulations of thermal transport in Si and SiGe based materials: From bulk to nanostructures (2010) (0)
Title Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces : Zooming in on Kaolinite Permalink (2016) (0)
Solidifying semiconductor nanocrystals from melts: Molecular dynamics simulations (2008) (0)
Thermal conductance of graded silicon germanium superlattices (2016) (0)
Resonances hindering of low frequency phonons in nanophononic metamaterials with ultra-low thermal conductivity (2016) (0)
Spectral Analysis of Surface Controlled Phonon Transport in Nanophononic Metamaterials (2016) (0)
(Invited) Ferroelectric Effect in SrTiO3 Promotes Photoelectrochemical Water Oxidation (2022) (0)
Nanosession: Phase Change Materials (2013) (0)
Thermal transport in Si-based disordered systems: amorphous silicon and silicon germanium alloys (2011) (0)
Tuning thermal transport ultra-thin silicon membranes: Influence of surface nanostructures (2015) (0)
Autocatalytic and cooperatively-stabilized dissociative adsorption of water on stepped metal surfaces (2013) (0)
H-AdResS: A Hamiltonian method for adaptive resolution simulations (2013) (0)
Ultra-Thin Silicon Membranes and Nanowires as Nanophononic and Thermoelectric Devices (2016) (0)
Erratum: Photoelasticity of crystalline and amorphous silica from first principles [Phys. Rev. B68, 134202 (2003)] (2006) (0)
From classical to quantum and back: Hamiltonian coupling of classical and Path Integral models of atoms (2015) (0)
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations (2016) (0)
Infrared Spectra of Water and Simple Negative Ions from Ab-initio Simulations (2010) (0)
Barbalinardo et al. Reply. (2022) (0)
Thermal transport in low-dimensional systems: the case of Graphene and single layer Boron Nitride (2013) (0)
Recent citations (2013) (0)
Molecular dynamics simulations of thermal transport in thin silicon nanowires (2010) (0)
An electrochemical thermal transistor (2018) (0)
Thermal transport in nanostructured silicon membranes (2014) (0)
Autocatalytic dissociation of water at stepped transition metal surfaces (2014) (0)
Atomistic simulations of heat transport in nanostructures (2011) (0)
Thermal diffusion and colored energy dissipation in hydrogen bonded liquids. (2016) (0)
Erratum: Synergistic impeding of phonon transport through resonances and screw dislocations [Phys. Rev. B 103, 085414 (2021)] (2021) (0)
Thermal Transport in Graphene from Large-scale Molecular Dynamics Simulations (2012) (0)
Title Combined Experimental and Theoretical Investigation of Heating Rate on Growth of Iron Oxide Nanoparticles (2017) (0)
Carbon Dioxide and Carbonate Ions in Aqueous Solutions at Deep Earth Conditions (2020) (0)
Modeling the amorphous Na2Ge-GeSe2 chalcogenide system (2020) (0)
Atomistic study of heat transport in SiGe alloys (2011) (0)
Lattice thermal conductivity of nanostructured semiconductors from atomistic simulations (2009) (0)
III–V Clathrate Semiconductors with Outstanding Hole Mobility: Cs₈In₂₇Sb₁₉ and A₈Ga₂₇Sb₁₉ (A = Cs, Rb) (2020) (0)
Solvation of the chloride anion in water: ab initio simulations (2012) (0)
Bridging the gap between models and experiments for graphene’s head conduction (2017) (0)
Editorial for Issue 2/3 by Pamela M. Norris, Editor-in-Chief (2022) (0)
Polymerization of methane in the deep Earth (2011) (0)
Atomistic Monte Carlo simulations of heat transport in Si and SiGe nanostructured materials (2013) (0)
Thermal Boundary Resistance Across Solid-Fluid Interface (2013) (0)
Large scale molecular dynamics simulations of phase change materials (2012) (0)
Abstract Submitted for the MAR09 Meeting of The American Physical Society Lattice thermal conductivity of nanostructured semiconductors from atomistic simulations1 (2012) (0)
ProtonWires via One-DimensionalWater Chains Adsorbed onMetallic Steps (2011) (0)
IR and Raman spectroscopy of water and ice by ab initio simulations (2008) (0)
Ultra-low thermal conductivity in silicon membranes by surface oxidation and alloying (2017) (0)
Abstract for an Invited Paper for the MAR09 Meeting of The American Physical Society Atomistic Simulations of Heat Transport in Silicon Nanowires1 (2009) (0)
Effect of sodium chloride adsorption on the surface premelting of ice. (2022) (0)

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What Schools Are Affiliated With Davide Donadio?

Davide Donadio is affiliated with the following schools: