QUANTUM CHEMISTRY GROUP

Staff Members

Jacek Komasa

Jacek Komasa, Prof.
Head

Room: G 4.97
Phone: +48 618291645
e-mail: komasa[at]man.poznan.pl

Web of Science ResearcherID K-8585-2012
Scopus
Google Scholar
ORCID
Baza Wiedzy UAM
Selected Publications

RESEARCH PROFILE

High-accuracy quantum-chemical calculations on small atoms and molecules using explicitly correlated wave functions. Accurate relativistic and QED calculations for few-electron systems. Algorithms for nonlinear optimization


Marcin Hoffmann

Marcin Hoffmann, Prof.

Room: G 4.104
Phone: +48 618291647
e-mail: mmh[at]amu.edu.pl

Selected Publications

RESEARCH PROFILE

Quantum chemical studies on interactions governing recognition between the molecules and influencing the shape of molecules allow us to understand how molecules attract each other. Further it may lead to a prediction of favorable modes of interaction, that may be exploited in the design of inhibitors of a given enzyme or receptor. Currently I am working on the design of inhibitors of SARS coronavirus helicase and main protease, as well as on the design of molecules that may alleviate acne problems. I am also interested in quantum mechanical studies of selected statines (drugs used to lower cholesterol level) and their photo induced toxicity.


Jacek Koput

Jacek Koput, Prof.

Room: 1.32
Phone: +48 61 829 1588
e-mail: koput[at]amu.edu.pl

Selected Publications

RESEARCH PROFILE

Accurate ab initio predictions of the potential energy surfaces and the vibration-rotation energy levels of molecules performing large-amplitude motions. Analysis of the high-resolution vibration-rotation spectra of small nonrigid molecules.


Marek Kręglewski

Marek Kręglewski, Prof.

Room: G 4.88
Phone: +48 61 829 1660
e-mail: mkreg[at]amu.edu.pl

Selected Publications

RESEARCH PROFILE

High resolution molecular spectroscopy of floppy molecules, determination of potential energy surfaces for large amplitude vibrations, multi-dimensional calculations of rovibrational energy levels, quantum chemical calculation, software assisting the analysis of high resolution molecular spectra.
Coordination of the development of software supporting the management of higher education institutions in Poland.


Marcin Molski

Marcin Molski, Prof.

Room: G 4.102
Phone: +48 61 829 1662
e-mail: mamolski[at]amu.edu.pl

Selected Publications

RESEARCH PROFILE

Theoretical modeling of biophysicochemical properties of substances of cosmetic and therapeutic importance. Nonlinear, nonlocal, coherent and quasi-quantum phenomena in macroscopic systems. Application of the chaos theory and fractal space-time in the description of biological growth processes (carcinogenesis, neurogenesis) and cognitive phenomena. Theoretical determination of the diatomic molecules characteristics from IR and MW spectra by ab initio and semi-empirical methods including potentials of new generations. Application of the phenomenological universality concept in generating solutions of the Fokker-Planck equation, functions of biological growth (regression) and macroscopic quasi-quantum states.


Mariusz Puchalski

Mariusz Puchalski, Prof.

Room: G 4.101
Phone: +48 618291646
e-mail: mpuchals[at]amu.edu.pl

RESEARCH PROFILE

Accurate description of light atomic and molecular systems including subtle finite mass, relativistic and quantum electrodynamics effects. High-precision variational methods of solving Schrödinger equation based on fully-correlated bases.


Iwona Gulaczyk

Iwona Gulaczyk, Ph. D.

Room: G 4.90
Phone: +48 61 829 1595
e-mail: gulai[at]amu.edu.pl

Selected Publications

RESEARCH PROFILE

High resolution molecular spectroscopy. Theoretical modeling and spectra analysis. Vibration-rotation of molecules. Spectroscopy of large amplitude motions. Quantum chemical calculations.
 
Faculty Erasmus+ Coordinator


Wiesław Łodyga

Wiesław Łodyga, Ph. D.

Room: G 4.90
Phone: +48 61 829 1595
e-mail: wlodyga[at]amu.edu.pl

RESEARCH PROFILE

Analysis of high-resolution rotation-vibration spectra. Software for assigning vibration-rotation spectra. Potential energy surfaces for large amplitude vibrations.


Jerzy Stanek

Jerzy Stanek, Ph. D.

Room: G 4.94
Phone: +48 61 829 1806
e-mail: stanek[at]amu.edu.pl

RESEARCH PROFILE

Rovibrational spectroscopy of small molecules. Nonlinear dynamics and chaotic phenomena in nonlinear vibrations. Quantum mechanics in phase space.


Paulina Szulc-Jabłońska
Office

Room: G 4.89
Phone: +48 618291594
e-mail: paulasj[at]amu.edu.pl

 

Retired and former members

Jerzy Konarski, Prof.

Room: G 4.100
Phone: +48 618291594
e-mail: konarski[at]amu.edu.pl


Jan Makarewicz, Prof.

Room: G 4.82
Phone: +48 618291661
e-mail: jama[at]amu.edu.pl


Jacek Rychlewski, Prof.

Biographical note


Izabella Foltynowicz, Ph. D.

Room: G 4.92
Phone: +48 618291594
e-mail: iza[at]amu.edu.pl


Jan Pyka, Ph. D.

Room: G 4.92
Phone: +48 618291594
e-mail: janpyka[at]amu.edu.pl


Wojciech Cencek
(1988-1999)


Agnieszka Szarecka
(1993-1999)


Rafal Bachorz
(2000-2004)


Mieczysław Torchała
(2002-2006)


Tomasz Kubacki
(1996-2006)


Tomasz Grabarkiewicz
(2001-2007)