Davide Donadio

发表

Promoting transparency and reproducibility in enhanced molecular simulations

Jakub Rydzewski, Toni Giorgino, Massimiliano Bonomi, 2019, Nature Methods.

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

Massimiliano Bonomi, Davide Provasi, Michele Parrinello, 2009, Comput. Phys. Commun..

Practical algorithms to facilitate large-scale first-principles molecular dynamics

Francois Gygi, Giulia Galli, Ivan Duchemin, 2009 .

Monte carlo adaptive resolution simulation of multicomponent molecular liquids.

Pep Español, Rafael Delgado-Buscalioni, Kurt Kremer, 2013, Physical review letters.

From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations.

Karsten Kreis, Kurt Kremer, Raffaello Potestio, 2016, Journal of chemical theory and computation.

Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature.

Michele Ceriotti, Mariana Rossi, Yair Litman, 2017, The Journal of chemical physics.

Cluster expansion and optimization of thermal conductivity in SiGe nanowires

Ying Shirley Meng, Tim Mueller, Gerbrand Ceder, 2010 .

Atomistic simulations of heat transport in silicon nanowires.

Giulia Galli, Davide Donadio, G. Galli, 2009, Physical review letters.

Molecular dynamics study of the solvation of calcium carbonate in water.

Michele Parrinello, Fabien Bruneval, Davide Donadio, 2007, The journal of physical chemistry. B.

A unified framework for force-based and energy-based adaptive resolution simulations

Karsten Kreis, Kurt Kremer, Raffaello Potestio, 2014, EPL (Europhysics Letters).

GROWTH OF NANOSTRUCTURED CARBON FILMS BY CLUSTER ASSEMBLY

Giorgio Benedek, Luciano Colombo, Paolo Milani, 1999 .

Thermal conductivity decomposition in two-dimensional materials: Application to graphene

Zheyong Fan, Ari Harju, Tapio Ala-Nissila, 2016, 1612.07199.

Freezing of a Lennard-Jones fluid: from nucleation to spinodal regime.

Michele Parrinello, Davide Donadio, Federica Trudu, 2006, Physical review letters.

Nanophononics: state of the art and perspectives

Mika Prunnila, Thomas Pezeril, Thomas Dekorsy, 2016, The European Physical Journal B.

Structure and Dynamics of the Quasi-Liquid Layer at the Surface of Ice from Molecular Simulations

Felix Kling, Davide Donadio, D. Donadio, 2018, The Journal of Physical Chemistry C.

Particle formation in the emulsion-solvent evaporation process.

Katharina Landfester, Daniel Crespy, Kaloian Koynov, 2013, Small.

Tuning thermal transport in ultrathin silicon membranes by surface nanoscale engineering.

Mika Prunnila, M. R. Wagner, Davide Donadio, 2015, ACS nano.

“Site Binding” of Ca2+ Ions to Polyacrylates in Water: A Molecular Dynamics Study of Coiling and Aggregation

Alessandro Laio, Michele Parrinello, Ferenc Molnar, 2007 .

Thermal transport in phase-change materials from atomistic simulations

Jörg Behler, Davide Donadio, S Caravati, 2012 .

Dehydroxylation and Silanization of the Surfaces of β-Cristobalite Silica: An ab Initio Simulation

Michele Parrinello, Davide Ceresoli, Davide Donadio, 2001 .

Ab initio simulations of photoinduced interconversions of oxygen deficient centers in amorphous silica.

Mauro Boero, Davide Donadio, Marco Bernasconi, 2001 .

Temperature dependence of the thermal conductivity of thin silicon nanowires.

Giulia Galli, Davide Donadio, G. Galli, 2010, Nano letters.

First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals.

Giulia Galli, François Gygi, Cui Zhang, 2011, Journal of chemical theory and computation.

Heat transport in amorphous silicon: Interplay between morphology and disorder

Giulia Galli, Davide Donadio, Yuping He, 2011 .

Hamiltonian adaptive resolution simulation for molecular liquids.

Pep Español, Rafael Delgado-Buscalioni, Kurt Kremer, 2012, Physical review letters.