Michele Parrinello

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List of research outcomes

This list is not complete and representing at the moment only items from zbMATH Open and arXiv. We are working on additional sources - please check back here soon!

Publication	Date of Publication	Type
Computing the Committor with the Committor: an Anatomy of the Transition State Ensemble	2024-05-09	Dataset
The role of dynamics in heterogeneous catalysis: surface diffusivity and N2 decomposition on Fe(111)	2023-10-18	Dataset
Path integral molecular dynamics for bosons Proceedings of the National Academy of Sciences	2020-03-04	Paper
Neural networks-based variationally enhanced sampling Proceedings of the National Academy of Sciences	2020-03-04	Paper
Aqueous solutions: state of the art in ab initio molecular dynamics Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences	2017-01-13	Paper
Dispersion corrected density functionals applied to the water naphthalene cluster	2008-07-11	Paper
Large Scale Car-Parrinello Simulation of Fully Hydrated DNA High Performance Computing in Science and Engineering, Munich 2002	2003-09-26	Paper
scientific article; zbMATH DE number 1866979 (Why is no real title available?)	2003-06-11	Paper
NMR chemical shifts in periodic systems from first principles Computer Physics Communications	2002-09-12	Paper

Research outcomes over time

This page was built for person: Michele Parrinello