D
Davide Donadio
Researcher at University of California, Davis
Publications - 182
Citations - 25589
Davide Donadio is an academic researcher from University of California, Davis. The author has contributed to research in topics: Thermal conductivity & Phonon. The author has an hindex of 46, co-authored 171 publications receiving 17239 citations. Previous affiliations of Davide Donadio include ETH Zurich & Max Planck Society.
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Morphology and Temperature Dependence of the Thermal Conductivity of Nanoporous SiGe
TL;DR: Using molecular dynamics simulations, it is shown that the thermal conductivity of Si(0.5)Ge(0-5) can be reduced by more than one order of magnitude by etching nanometer-sized holes in the material, and it becomes almost constant as a function of temperature between 300 and 1100 K for samples with 1 nm wide pores.
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Statistical mechanics of Hamiltonian adaptive resolution simulations
Pep Español,Rafael Delgado-Buscalioni,Ralf Everaers,Raffaello Potestio,Davide Donadio,Kurt Kremer +5 more
TL;DR: This work presents a number of exact and approximate results that provide a statistical mechanics foundation for this simulation method and construction of a Hamiltonian based on the Adaptive Resolution Scheme.
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Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface
TL;DR: Using first-principles simulations, it is found that water adsorbs preferentially at the step edge, forming linear clusters or chains, stabilized by the cooperative effect of chemical bonds with the substrate and hydrogen bonds.
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Nuclear Quantum Effects in Water: A Multiscale Study.
TL;DR: An effective force field is obtained for bulk liquid water using the force-matching technique and this approach offers a practical route to derive ab initio quality molecular models to study quantum effects at a low computational cost.
Posted Content
Topological defects and bulk melting of hexagonal ice
TL;DR: Laio et al. as discussed by the authors used classical molecular dynamics combined with the recently developed metadynamics method to study the process of bulk melting in hexagonal ice and showed that bulk melting is mediated by the formation of topological defects which preserve the coordination of the tetrahedral network.