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Journal of Computational Chemistry
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October 15, 2011
Similarity recognition of molecular structures by optimal atomic matching and rotational superposition
Benjamin Helmich, Marek Sierka
Journal of Chemical Theory and Computation
|
October 17, 2024
Optical Gaps of Ionic Materials from GW/BSE-in-DFT and CC2-in-DFT
Manas Sharma, Marek Sierka
Journal of Computational Chemistry
|
July 20, 2019
Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor
Martin Becker, Marek Sierka
Journal of Chemical Theory and Computation
|
October 12, 2022
Efficient Implementation of Density Functional Theory Based Embedding for Molecular and Periodic Systems Using Gaussian Basis Functions
Manas Sharma, Marek Sierka
Materials (Basel, Switzerland)
|
August 25, 2019
Atomistic Simulations of Plasma-Enhanced Atomic Layer Deposition
Martin Becker, Marek Sierka
Journal of Chemical Theory and Computation
|
November 25, 2015
Linear Scaling Hierarchical Integration Scheme for the Exchange-Correlation Term in Molecular and Periodic Systems
Asbjörn M Burow, Marek Sierka
Journal of Computational Chemistry
|
January 19, 2021
Real-time time-dependent density functional theory using density fitting and the continuous fast multipole method
Carolin Müller, Manas Sharma, Marek Sierka
Physical Chemistry Chemical Physics : PCCP
|
October 2, 2015
Dynamics of ultrathin gold layers on vitreous silica probed by density functional theory
Carolin Hühn, Lothar Wondraczek, Marek Sierka
Journal of Computational Chemistry
|
July 17, 2008
Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory
Torsten Kerber, Marek Sierka, Joachim Sauer
Angewandte Chemie (International Ed. in English)
|
December 6, 2012
Intact As4 tetrahedra coordinated side-on to metal cations
Christoph Schwarzmaier, Marek Sierka, Manfred Scheer
Page
of 8
Search research articles
Search
Showing results (1-10 of 77) with videos related to
Sort By:
Page
of 8
Journal of Computational Chemistry
|
October 15, 2011
Similarity recognition of molecular structures by optimal atomic matching and rotational superposition
Benjamin Helmich, Marek Sierka
Journal of Chemical Theory and Computation
|
October 17, 2024
Optical Gaps of Ionic Materials from GW/BSE-in-DFT and CC2-in-DFT
Manas Sharma, Marek Sierka
Journal of Computational Chemistry
|
July 20, 2019
Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor
Martin Becker, Marek Sierka
Journal of Chemical Theory and Computation
|
October 12, 2022
Efficient Implementation of Density Functional Theory Based Embedding for Molecular and Periodic Systems Using Gaussian Basis Functions
Manas Sharma, Marek Sierka
Materials (Basel, Switzerland)
|
August 25, 2019
Atomistic Simulations of Plasma-Enhanced Atomic Layer Deposition
Martin Becker, Marek Sierka
Journal of Chemical Theory and Computation
|
November 25, 2015
Linear Scaling Hierarchical Integration Scheme for the Exchange-Correlation Term in Molecular and Periodic Systems
Asbjörn M Burow, Marek Sierka
Journal of Computational Chemistry
|
January 19, 2021
Real-time time-dependent density functional theory using density fitting and the continuous fast multipole method
Carolin Müller, Manas Sharma, Marek Sierka
Physical Chemistry Chemical Physics : PCCP
|
October 2, 2015
Dynamics of ultrathin gold layers on vitreous silica probed by density functional theory
Carolin Hühn, Lothar Wondraczek, Marek Sierka
Journal of Computational Chemistry
|
July 17, 2008
Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory
Torsten Kerber, Marek Sierka, Joachim Sauer
Angewandte Chemie (International Ed. in English)
|
December 6, 2012
Intact As4 tetrahedra coordinated side-on to metal cations
Christoph Schwarzmaier, Marek Sierka, Manfred Scheer
Page
of 8