Grzegorz Mazur
机构: Department of Computational Methods in Chemistry, Jagiellonian University
每年引用次数
引用次数
引用: 771
H-指数: 13
I10-指数 : 15
出版物: 26
ANALYSIS OF THE BASIC IMPLEMENTATION ASPECTS OF HARDWARE-ACCELERATED DENSITY FUNCTIONAL THEORY CALCULATIONS
Paweł Russek , Maciej Wielgosz , Marcin Makowski , Kazimierz Wiatr
Computing and Informatics \/ Computers and Artificial Intelligence 29 ( 6) 989 -1000
3
2010
DEVELOPMENT AND OPTIMIZATION OF COMPUTATIONAL CHEMISTRY ALGORITHMS
Marcin Makowski , Grzegorz Mazur
Computing and Informatics \/ Computers and Artificial Intelligence 28 ( 1) 115 -125
10
2009
HYBRID-PARALLEL FORMULATION OF FUNDAMENTAL QUANTUM-CHEMICAL ALGORITHMS
Dawid Kuna , Marcin Makowski , Grzegorz Mazur
Computer Science 12 163 -163
2011
Effective Resource Allocation in Parallel Quantum-Chemical Calculations
Marcin Makowski , Mateusz Brela , Grzegorz Mazur
Computing and Informatics \/ Computers and Artificial Intelligence 30 ( 4) 761 -771
1
2011
Efficient Energy and Electrostatic Properties Calculations at the MP2 Theory Level: A Case Study of Density Matrix-Based Computational Quantum Chemistry
Marcin Makowski , Jakub Sumera , Krzysztof Kowalczyk , Grzegorz Mazur
Computing and Informatics \/ Computers and Artificial Intelligence 31 ( 3) 665
2012
Boys function evaluation on graphical processing units
Grzegorz Mazur , Marcin Makowski , Roman Łazarski
Journal of Mathematical Chemistry 54 ( 10) 2022 -2047
2016
Theoretical calculations of the electroabsorption spectra of perylenetetracarboxylic dianhydride
Grzegorz Mazur , Piotr Petelenz , Michał Slawik
The Journal of Chemical Physics 118 ( 3) 1423 -1432
30
2003
Quantum chemical valence indices from the one-determinantal difference approach
Roman F. Nalewajski , Janusz Mrozek , Grzegorz Mazur
Canadian Journal of Chemistry 74 ( 6) 1121 -1130
104
1996
An improved SCPF scheme for polarization energy calculations
Grzegorz Mazur
Journal of Computational Chemistry 29 ( 6) 988 -993
4
2008
Application of the dressed time-dependent density functional theory for the excited states of linear polyenes.
Grzegorz Mazur , Radosław Włodarczyk
Journal of Computational Chemistry 30 ( 5) 811 -817
43
2009
Charge-pair states in organic molecular crystals: localized vs. delocalized description
Piotr Petelenz , Grzegorz Mazur
Synthetic Metals 109 ( 1) 73 -77
3
2000
Band gap and binding energies of charge-transfer excitons in organic molecular crystals
Piotr Petelenz , Grzegorz Mazur
Chemical Physics Letters 301 ( 3) 223 -227
10
1999
Transition dipole moments of charge transfer excitations in one-component molecular crystals
Grzegorz Mazur , Piotr Petelenz , Michał Slawik
Chemical Physics 397 ( 1) 92 -97
5
2012
Charge-Transfer States in Pentacene: Dimer versus Crystal
Piotr Petelenz , Mateusz Snamina , Grzegorz Mazur
Journal of Physical Chemistry C 119 ( 25) 14338 -14342
14
2015
Charge transfer excitons in perylenetetracarboxylic dianhydride – microelectrostatic calculations
Grzegorz Mazur , Piotr Petelenz
Chemical Physics Letters 324 ( 1) 161 -165
19
2000
Time-dependent density functional theory gradients in the Amsterdam density functional package: geometry optimizations of spin-flip excitations
Michael Seth , Grzegorz Mazur , Tom Ziegler
Theoretical Chemistry Accounts 129 ( 3) 331 -342
28
2011
A uniform approach to the description of multicenter bonding.
Dariusz W. Szczepanik , Marcin Andrzejak , Karol Dyduch , Emil Żak
Physical Chemistry Chemical Physics 16 ( 38) 20514 -20523
41
2014
Dressed TDDFT study of low-lying electronic excited states in selected linear polyenes and diphenylopolyenes
Grzegorz Mazur , Marcin Makowski , Radosław Włodarczyk , Yuriko Aoki
International Journal of Quantum Chemistry 111 ( 4) 819 -825
25
2011
Automatic code generation for quantum chemistry applications
Grzegorz Mazur , Marcin Makowski , Roman Łazarski , Radosław Włodarczyk
International Journal of Quantum Chemistry 116 ( 18) 1370 -1381
2016
A Neural-Network Controlled Dynamic Evolutionary Scheme for Global Molecular Geometry Optimization
Anna Styrcz , Janusz Mrozek , Grzegorz Mazur
International Journal of Applied Mathematics and Computer Science 21 ( 3) 559 -566
7
2011