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20152021
most citedVan der Waals forces from first principles for periodic systems: Application to graphene-water interactions

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physics.comp-ph2017

Two-Dimensional Hydrogen Structure at Ultra-High Pressure

Francesco Calcavecchia, Thomas D. Kühne, Markus Holzmann

We introduce a novel method that combines the accuracy of Quantum Monte Carlo simulations with ab-initio Molecular Dynamics, in the spirit of Car-Parrinello. This method is then us…