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Physical Chemistry Chemical Physics : PCCP|August 25, 2012
Methane-selective nanoporous graphene membranes for gas purificationAndreas W Hauser, Peter SchwerdtfegerThe Journal of Chemical Physics|March 2, 2020
Geometry optimization using Gaussian process regression in internal coordinate systemsRalf Meyer, Andreas W HauserPhysical Chemistry Chemical Physics : PCCP|October 15, 2020
Metal clusters synthesized in helium droplets: structure and dynamics from experiment and theoryWolfgang E Ernst, Andreas W HauserThe Journal of Physical Chemistry. A|March 8, 2022
Vibronic Coupling in Spherically Encapsulated, Diatomic Molecules: Prediction of a Renner-Teller-like Effect for EndofullerenesAndreas W Hauser, Johann V PototschnigPhysical Chemistry Chemical Physics : PCCP|August 27, 2011
Homo- and heteronuclear alkali metal trimers formed on helium nanodroplets. Part I. Vibronic spectra simulations based on ab initio calculationsAndreas W Hauser, Wolfgang E ErnstJournal of Chemical Theory and Computation|August 14, 2020
Machine Learning Approaches toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and Its Functional DerivativeRalf Meyer, Manuel Weichselbaum, Andreas W HauserPhysical Chemistry Chemical Physics : PCCP|October 11, 2012
Helium nanodroplets doped with xenon and rubidium atoms: a case study of van der Waals interactions between heliophilic and heliophobic dopantsJohannes Poms, Andreas W Hauser, Wolfgang E ErnstChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 5, 2018
Chiral Separation via Molecular Sieving: A Computational Screening of Suitable Functionalizations for Nanoporous GrapheneSamuel M Fruehwirth, Ralf Meyer, Andreas W HauserJournal of Chemical Theory and Computation|September 26, 2019
Machine Learning in Computational Chemistry: An Evaluation of Method Performance for Nudged Elastic Band CalculationsRalf Meyer, Klemens S Schmuck, Andreas W HauserThe Journal of Physical Chemistry Letters|December 10, 2016
Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary ActionAndreas W Hauser, María Pilar de Lara-CastellsPageof 5