Marcos Felipe Calegari Andrade
Lawrence Livermore National Laboratory
16 papers found
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Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics
Download from doi.orgWhen do short-range atomistic machine-learning models fall short?
UploadEffects of applied voltage on water at a gold electrode interface from ab initio molecular dynamics
Download from doi.orgStructure of disordered TiO2 phases from ab initio based deep neural network simulations
UploadRaman spectrum and polarizability of liquid water from deep neural networks
UploadStructure, Polarization, and Sum Frequency Generation Spectrum of Interfacial Water on Anatase TiO2
UploadAb initio theory and modeling of water
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