Machine Learning Approaches toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and Its Functional Derivative
Meyer, Ralf, Weichselbaum, Manuel, Hauser, Andreas W
Published in Journal of chemical theory and computation (08.09.2020)
Published in Journal of chemical theory and computation (08.09.2020)
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Journal Article
Methane-selective nanoporous graphene membranes for gas purification
Hauser, Andreas W, Schwerdtfeger, Peter
Published in Physical chemistry chemical physics : PCCP (14.10.2012)
Published in Physical chemistry chemical physics : PCCP (14.10.2012)
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Journal Article
Nanoporous Graphene Membranes for Efficient 3He/4He Separation
Hauser, Andreas W, Schwerdtfeger, Peter
Published in The journal of physical chemistry letters (19.01.2012)
Published in The journal of physical chemistry letters (19.01.2012)
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Journal Article
Vibronic Coupling in Spherically Encapsulated, Diatomic Molecules: Prediction of a Renner–Teller-like Effect for Endofullerenes
Hauser, Andreas W, Pototschnig, Johann V
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.03.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.03.2022)
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Journal Article
Model for elastic relaxation phenomena in finite 2D hexagonal molecular lattices
Enachescu, Cristian, Stoleriu, Laurentiu, Stancu, Alexandru, Hauser, Andreas
Published in Physical review letters (26.06.2009)
Published in Physical review letters (26.06.2009)
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Journal Article
Stability of Core–Shell Nanoparticles for Catalysis at Elevated Temperatures: Structural Inversion in the Ni–Au System Observed at Atomic Resolution
Schnedlitz, Martin, Lasserus, Maximilian, Meyer, Ralf, Knez, Daniel, Hofer, Ferdinand, Ernst, Wolfgang E, Hauser, Andreas W
Published in Chemistry of materials (13.02.2018)
Published in Chemistry of materials (13.02.2018)
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Journal Article
Ethane and propane dehydrogenation over PtIr/Mg(Al)O
Wu, Jason, Mallikarjun Sharada, Shaama, Ho, Chris, Hauser, Andreas W., Head-Gordon, Martin, Bell, Alexis T.
Published in Applied catalysis. A, General (05.10.2015)
Published in Applied catalysis. A, General (05.10.2015)
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Journal Article
Mixed-metal nanoparticles: phase transitions and diffusion in Au-VO clusters
Ernst, Wolfgang E, Lasserus, Maximilian, Knez, Daniel, Hofer, Ferdinand, Hauser, Andreas W
Published in Faraday discussions (31.01.2023)
Published in Faraday discussions (31.01.2023)
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Journal Article