Reviews
- 期刊名称Career Development and Transition for Exceptional Individuals
- 作者Schilit, J.
- 卷第1卷
- 期第2期
- 印刷ISSN2165-1434
- 电子ISSN2165-1442
- 文件大小117.60KB
- 发表时间1978-01-01
- DOI10.1177/088572887800100209
- 页码120-121
Linear-scaling Cholesky decompositionSabine Schweizer; Jörg Kussmann; Bernd Doser; Christian Ochsenfeld · 2008
Nuclear Magnetic Shieldings of Stacked Aromatic and Antiaromatic MoleculesSundholm, Dage; Rauhalahti, Markus; Özcan, Nergiz; Mera-Adasme, Raúl; Kussmann, Jörg; Luenser, Arne; Ochsenfeld, Christian · Journal of Chemical Theory and Computation · 2017
Identifying Free Energy Hot-Spots in Molecular TransformationsDietschreit, Johannes C. B.; Peters, Laurens D. M.; Kussmann, Jörg; Ochsenfeld, Christian · The Journal of Physical Chemistry A · 2019
Employing OpenCL to Accelerate Ab Initio Calculations on Graphics Processing UnitsKussmann, Jörg; Ochsenfeld, Christian · Journal of Chemical Theory and Computation · 2017
Linear-scaling self-consistent field methods for large moleculesKussmann, Jörg; Beer, Matthias; Ochsenfeld, Christian · Wiley Interdisciplinary Reviews: Computational Molecular Science · 2013
Efficient and Accurate Born–Oppenheimer Molecular Dynamics for Large Molecular SystemsPeters, Laurens D. M.; Kussmann, Jörg; Ochsenfeld, Christian · Journal of Chemical Theory and Computation · 2017
An improved molecular partitioning scheme for numerical quadratures in density functional theoryLaqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian · The Journal of Chemical Physics · 2018
Hybrid CPU/GPU Integral Engine for Strong-Scaling <i>Ab Initio</i> MethodsKussmann, Jörg; Ochsenfeld, Christian · Journal of Chemical Theory and Computation · 2017
Gaussian Expansions of OrbitalsMcKemmish, Laura K.; Gill, Peter M. W. · Journal of Chemical Theory and Computation · 2012
Free Energy Guided SamplingZhou, Ting; Caflisch, Amedeo · Journal of Chemical Theory and Computation · 2012
On Reaction Coordinate OptimalityKrivov, Sergei V. · Journal of Chemical Theory and Computation · 2013
Metadynamics with Adaptive GaussiansBranduardi, Davide; Bussi, Giovanni; Parrinello, Michele · Journal of Chemical Theory and Computation · 2012
Symmetry Conservation in Fukui FunctionsFlores-Moreno, Roberto · Journal of Chemical Theory and Computation · 2010
Transient Polymorphism in NaClGiberti, Federico; Tribello, Gareth A.; Parrinello, Michele · Journal of Chemical Theory and Computation · 2013
Developments in Theoretical ChemistryMcCoy, Anne B.; Scuseria, Gustavo E. · Journal of Chemical Theory and Computation · 2014
Connecting Pauling and Mulliken ElectronegativitiesHerrick, David R. · Journal of Chemical Theory and Computation · 2005