G. Mazur

发表

Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals

K. Morokuma, S. Irle, Chien‐Pin Chou, 2016 .

Quantum chemical results as input for solid state calculations: charge transfer states in molecular crystals ☆

G. Mazur, M. Andrzejak, P. Petelenz, 2000 .

Quantum chemical valence indices from the one-determinantal difference approach

G. Mazur, R. Nalewajski, J. Mrozek, 1996 .

Band gap and binding energies of charge-transfer excitons in organic molecular crystals

G. Mazur, P. Petelenz, 1999 .

Charge-Transfer States in Pentacene: Dimer versus Crystal

G. Mazur, P. Petelenz, Mateusz Snamina, 2015 .

An improved SCPF scheme for polarization energy calculations

Grzegorz Mazur, G. Mazur, 2008, J. Comput. Chem..

Charge-pair states in organic molecular crystals: localized vs. delocalized description

G. Mazur, P. Petelenz, 2000 .

Soft Selection Rules for Femtosecond Pump–Probe Vibrational Coherence Spectroscopy

G. Mazur, M. Andrzejak, P. Petelenz, 2020 .

A uniform approach to the description of multicenter bonding.

Dariusz W. Szczepanik, G. Mazur, M. Makowski, 2014, Physical chemistry chemical physics : PCCP.

Theoretical calculations of the electroabsorption spectra of perylenetetracarboxylic dianhydride

Grzegorz Mazur, Piotr Petelenz, G. Mazur, 2003 .

Transition dipole moments of charge transfer excitations in one-component molecular crystals

G. Mazur, P. Petelenz, M. Slawik, 2012 .

Charge-Transfer Integrals for Perylenetetracarboxylic Dianhydride (PTCDA)-Critical Overview of Available Computational Methods

G. Mazur, P. Petelenz, 2002 .

Partial atomic multipoles for internally consistent microelectrostatic calculations

Grzegorz Mazur, Mateusz Snamina, Piotr Petelenz, 2017, J. Comput. Chem..

Dressed TDDFT study of low-lying electronic excited states in selected linear polyenes and diphenylopolyenes

G. Mazur, Y. Aoki, M. Makowski, 2011 .

Automatized Parameterization of DFTB Using Particle Swarm Optimization.

Yoshifumi Nishimura, Stephan Irle, Chien-Pin Chou, 2016, Journal of chemical theory and computation.

Charge transfer excitons in perylenetetracarboxylic dianhydride – microelectrostatic calculations

G. Mazur, P. Petelenz, 2000 .

Boys function evaluation on graphical processing units

Roman Łazarski, G. Mazur, M. Makowski, 2016, Journal of Mathematical Chemistry.

Automatic code generation for quantum chemistry applications

Grzegorz Mazur, Marcin Makowski, Roman Łazarski, 2016 .

Effective Resource Allocation in Parallel Quantum-Chemical Calculations

Marcin Makowski, Grzegorz Mazur, Mateusz Brela, 2011, Comput. Informatics.

Time-dependent density functional theory gradients in the Amsterdam density functional package: geometry optimizations of spin-flip excitations

G. Mazur, M. Seth, T. Ziegler, 2011 .

Application of the dressed time‐dependent density functional theory for the excited states of linear polyenes

Grzegorz Mazur, Radoslaw Wlodarczyk, G. Mazur, 2009, J. Comput. Chem..

Analysis of the Basic Implementation Aspects of Hardware-Accelerated Density Functional Theory Calculations

Maciej Wielgosz, Ernest Jamro, Kazimierz Wiatr, 2010, Comput. Informatics.

Hybrid-Parallel formulation of Fundamental Quantum-Chemical Algorithms

Marcin Makowski, Grzegorz Mazur, Dawid Kuna, 2011, Comput. Sci..

A neural-network controlled dynamic evolutionary scheme for global molecular geometry optimization

G. Mazur, J. Mrozek, Anna Styrcz, 2011, Int. J. Appl. Math. Comput. Sci..

Quantum Inspired Optimization for Industrial Scale Problems

Shima Bab Hadiashar, Yudong Cao, J. Romero, 2023, 2305.02179.

A uniform approach to the description of multicenter bonding.

Dariusz W. Szczepanik, G. Mazur, M. Makowski, 2014, Physical chemistry chemical physics : PCCP.

Application of the dressed time‐dependent density functional theory for the excited states of linear polyenes

G. Mazur, R. Wlodarczyk, 2009, J. Comput. Chem..