Andreas Glöß
Andreas Glöß
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CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
The Journal of Chemical Physics 152 (19), 2020
On the interaction of dihydrogen with aromatic systems
O Hübner, A Glöss, M Fichtner, W Klopper
The Journal of Physical Chemistry A 108 (15), 3019-3023, 2004
The structure of magnesium alanate
M Fichtner, J Engel, O Fuhr, A Glöss, O Rubner, R Ahlrichs
Inorganic chemistry 42 (22), 7060-7066, 2003
The MP2‐F12 method in the TURBOMOLE program package
RA Bachorz, FA Bischoff, A Glöß, C Hättig, S Höfener, W Klopper, DP Tew
Journal of Computational Chemistry 32 (11), 2492-2513, 2011
Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements
S Höfener, FA Bischoff, A Glöß, W Klopper
Physical Chemistry Chemical Physics 10 (23), 3390-3399, 2008
Explicitly correlated second-order perturbation theory calculations on molecules containing heavy main-group elements
FA Bischoff, S Höfener, A Glöß, W Klopper
Theoretical Chemistry Accounts 121 (1), 11-19, 2008
Accurate computational determination of the binding energy of the SO3∙ H2O complex
H Fliegl, A Glöß, O Welz, M Olzmann, W Klopper
The Journal of chemical physics 125 (5), 2006
Benchmarking different QM levels for usage with COSMO-RS
J Reinisch, M Diedenhofen, R Wilcken, A Udvarhelyi, A Glöß
Journal of Chemical Information and Modeling 59 (11), 4806-4813, 2019
Porting of the dbcsr library for sparse matrix-matrix multiplications to intel xeon phi systems
I Bethune, A Glöss, J Hutter, A Lazzaro, H Pabst, F Reid
Advances in Parallel Computing, Proceedings of the International Conference …, 2018
TURBOMOLE 6.6. A development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989–2007, TURBOMOLE GmbH, since 2007, Karlsruhe, Germany
R Ahlrichs, MK Armbruster, RA Bachorz, M Bär, HP Baron, ...
The MP2 binding energy of the ethene dimer and its dependence on the auxiliary basis sets: a benchmark study using a newly developed infrastructure for the processing of …
A Glöß, MP Brändle, W Klopper, HP Lüthi
Molecular Physics 110 (19-20), 2523-2534, 2012
The quantum chemical search for novel materials and the issue of data processing: The InfoMol project
HP Lüthi, S Heinen, G Schneider, A Glöss, MP Brändle, RA King, ...
Journal of Computational Science 15, 65-73, 2016
Entwicklung und Implementierung schneller MP2-R12 Methoden
A Glöß
DBCSR: A Sparse Matrix Multiplication Library for Electronic Structure Codes
A Glöss, A Lazzaro, P Seewald, O Schütt, H Pabst, J Hutter
DBCSR: A Library for Sparse Matrix Multiplications
A Glöß, A Lazzaro, T Müller, P Seewald, I Sivkov, J Hutter
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