Author: Schön J. Christian

Prof Dr. J. Christian Schoen
Max Planck Institute for Solid State Research
Nanoscale Science Department
Heisenbergstrasse 1
D-70569 Stuttgart, Germany

Main Focus

1. Theory of multi-minima-energy landscapes:
– barrier structure, free energy computation
– methods for the exploration and description of energy landscapes
(for the curent manual of the G42+ code,
c.f. web page http://www.fkf.mpg.de/5233266/G42_Manual )
2. Investigation of the energy landscapes of chemical systems:
structure and dynamics
– Prediction and analysis of molecular structures and clusters
in vacuum and on surfaces
– Prediction of kinetically stable solid compounds
and study of their synthesis
3. Development of computer algorithms for the investigation of
energy landscapes
4. Modelling of structures and properties of molecules, clusters, surfaces,
amorphous and crystalline compounds
5. Rational synthesis planning
6. Geometric and finite time thermodynamics

Curriculum Vitae

10/77 – 8/80: Study of physics at the Rheinische Friedrich-Wilhelms-University
Bonn
9/80 – 8/88: Study of physics at Massachusetts Institute of Technology in
Cambridge (USA)
6/82: M. S. in mathematical physics
7/88: Ph. D. in theoretical solid state physics
9/88 – 11/91: Lecturer and Postdoctoral Fellow at the San Diego State
University (Dept. Mathematical Sciences) in San Diego (USA)
12/91: Guest researcher at the University of Southern Denmark
(Dept. Physics) in Odense (Denmark)
1/92 – 12/92: Research scientist at the Niels Bohr Institute of the University
Copenhagen (Dept. Physics) in Copenhagen (Denmark)
1/93 – 9/97: Research Scientist at the Rheinische Friedrich-Wilhelms-
University Bonn (Dept. Chemistry)
6/97: Habilitation in theoretical inorganic chemistry
8/97: Guest researcher at the University of Southern Denmark
(Dept. Physics) in Odense (Denmark)
10/97 – 3/99: Assistant Professor at the Rheinische Friedrich-Wilhelms-
University Bonn (Dept. Chemistry)
4/99 – 12/12: Senior research scientist at the MPI for Solid State Research,
Stuttgart (Department: Prof. Dr. M. Jansen)
Since 1/13: Senior research scientist at the MPI for Solid State Research,
Stuttgart (Department: Prof. Dr. K. Kern)
7/14 – 9/14: Guest professor at the Laboratoire d’Analyse et d’Architecture
des Systemes (CNRS) in Toulouse, France
Since 1/08: Professor (apl) at the Rheinische Friedrich-Wilhelms-University
Bonn (Dept. Chemistry)

Overview of modern computational methods in the research of advanced materials from bulk crystals to nanoscale structures
INVESTIGATION OF THE STRUCTURE OF NANOSIZED NanCln (n = 4, 8, 12, 16) CLUSTERS USING GLOBAL OPTIMIZATION

INVESTIGATION OF THE STRUCTURE OF NANOSIZED NanCln (n = 4, 8, 12, 16) CLUSTERS USING GLOBAL OPTIMIZATION

Conference Title:21st Annual Conference of the German Crystallographic Society (DGK)
Date and Places: Freiberg, Germany (March, 19 - 22, 2013)
More info →
KPLOT A Program for Plotting and Analysing Crystal Structures, Version 9

KPLOT A Program for Plotting and Analysing Crystal Structures, Version 9

The program KPLOT is used to draw and analyse crystal structures. The approach of the program to drawing structures is similar that of the program ORTEP. Meanwhile most tasks available with ORTEP have been integrated. Version 9 has the new feature that two structures can be handled simultaneously. The pictures created with the program can be treated as simplified “ball and stick” models. The balls are drawn in projection as circles while the sticks which are supposed to symbolize bonds or indicate coordinations of atoms are represented as simple lines or double lines (tubes). More info →