Prof. Dr. Richard Dronskowski

Chair of Solid-state and Quantum Chemistry

Members

Members

People: De Souza  

Roger De Souza

Ph.D.

Phone: +49 (0)241 80-94739
E-mail: desouza@pc.rwth-aachen.de
Field of research:
  • atomistic simulations of point defects and interfaces in crystalline solids

  • numerical modelling of charge and mass transport processes

Website: http://www.ipc.rwth-aachen.de/?id=206
 
People: Dronskowski  

Richard Dronskowski

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-93642
E-mail: drons@HAL9000.ac.rwth-aachen.de
Field of research:
  • Quantum theory of chemical bonding in solids

  • LOBSTER

  • Periodic electronic-structure calculations

  • Solid-state free energies

Website: www.ssc.rwth-aachen.de
 
People: Kögerler  

Paul Kögerler

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-1
E-mail: koegerler@ac.rwth-aachen.de
Field of research:
  • theory of molecular magnetism

  • catalytic properties of functionalized polyoxometallates

Website:
http://www.ac.rwth-aachen.de/extern/ak-koegerler
 
People: Kleemiß  

Florian Kleemiß

Jun.-Prof. Dr. phil. nat.

Phone: +49 (0)241 80-94666
E-mail: florian.kleemiss@ac.rwth-aachen.de
Field of research:
  • QM-enhanced structural refinement of diffraction data (NoSpherA2)

  • X-ray restrained Wavefunctions

  • Complementary Chemical Bonding Analysis of Molecules

  • Benchmark of DFT functionals against Diffraction Data

  • Training of AI Models for prediction of electron densities
 
People: Lüchow  

Arne Lüchow

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-94748
E-mail: luechow@pc.rwth-aachen.de
Field of research:
  • quantum Monte Carlo methods

  • large amplitude motion in molecular clusters

  • ab initio calculation of molecular structures, spectra and properties

Website:
http://www.ipc.rwth-aachen.de/groups/ipc-rwth/ak-luechow/home.html
 
People: Leitner  

Walter Leitner

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-26480
E-mail: leitner@itmc.rwth-aachen.de
Field of research:
  • computational chemistry of homogeneous catalysis
 
People: Martin  

Manfred Martin

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-94712
E-mail: martin@pc.rwth-aachen.de
Field of research:
  • dynamic Monte Carlo simulations of transport processes in solids

  • numerical solution of transport problems

  • X-Ray Absorption Fine Structure (EXAFS) Simulations

Website: http://www.ipc.rwth-aachen.de/martin
 
People: Raabe  

Gerhard Raabe

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-94709
E-mail: Gerd.Raabe@thc.rwth-aachen.de
Field of research:
  • structure and bonding in organic molecular crystals

  • lattice energy calculations

  • ab initio predictions of CD spectra

Website: http://www.oc.rwth-aachen.de/gerdraabe/index.html
 
People: Simon  

Ulrich Simon

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-94644
E-mail: ulrich.simon@ac.rwth-aachen.de
Field of research:
  • theoretical description of porous solids

Website:
http://www.ac.rwth-aachen.de/extern/ak-simon/index.html
 
People: Steinberg  

Simon Steinberg

Priv.-Doz. Dr. rer. nat.

Phone: +49 (0)241 80-92075
E-mail: simon.steinberg@ac.rwth-aachen.de
Field of research:
  • solid-state and quantum chemistry with particular regard to chalcogenides
 

Former Members

People: Blümich  

Bernhard Blümich

Prof. Dr. rer. nat. Dr. h.c.

Phone: +49 (0)241 80-26421
E-mail: bluemich@mc.rwth-aachen.de
Field of research:
  • simulation of magnetic field profiles for unilateral NMR devices

  • nuclear spin responses from quantum mechanics to advanced NMR pulse sequences

  • multi-dimensional data processing and analysis


Website: http://www.mc.rwth-aachen.de/
 
People: Englert  

Ulli Englert

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-94666
E-mail: ullrich.englert@ac.rwth-aachen.de
Field of research:
  • lattice energy, polymorphism, and computer simulation of van-der-Waals-crystals

  • molecular geometry in the solid state

Website:
http://www.ac.rwth-aachen.de/extern/AKS/index.html
 
People: Haarmann  

Frank Haarmann

Jun.-Prof. Dr. rer. nat

Phone: +49 (0)241 80-99660
E-mail: frank.haarmann@ac.rwth-aachen.de
Field of research:
  • chemical bonding of intermetallic compounds

  • quantum-mechanical calculation of NMR spectroscopic data

Website:
http://www.ac.rwth-aachen.de/extern/haarmann
 
People: Lueken  

Heiko Lueken

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-94648
E-mail: heiko.lueken@ac.rwth-aachen.de
Field of research:
  • computerized magnetochemical analysis of mononuclear d and f systems

  • magnetochemical analysis of homo- and heteronuclear d-d, f-f, and d-f systems

  • high-temperature series expansions for 2-D and 3-D spin systems
 
People: Stahl  

Wolfgang Stahl

Prof. Dr. rer. nat.

Phone: +49 (0)241 80-94724
E-mail: w.stahl@rwth-aachen.de
Field of research:
  • energy surfaces of floppy molecules

  • theory of large amplitude motions of molecular systems

  • theory of rotational spectroscopy

Website:
http://www.ipc.rwth-aachen.de/stahl/
 
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