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Foto Frauenheim

Mr.
Prof. Dr. Thomas Frauenheim

Faculty 01
Physics/Electrical Engineering Physics/Electrical Engineering

E-Mail: frauenheim@bccms.uni-bremen.de

Affiliations | Research Topics | Cooperations | Projects | Scientific Activities | Resources


Affiliations

High-Profile Areas
» Materials Science and Production Engineering


Affiliation to an institute
Code Indication deutsch Indication englisch Funcition Keywords deutsch Keywords englisch
BCCMS    Bremen Center for Computational Materials Science  Leader/Speaker  Computergestützte Materialwissenschaften, CMS  Computational Materials Science, CMS 



Affialation to a work group
Code Indication deutsch Indication englisch Faculty Keywords deutsch Keywords englisch
CMS  Computergestützte Materialwissenschaften  Computational Materials Science  F01  BCCMS, Computergestützte Materialwissenschaften, CMS  BCCMS, Computational Materials Science, CMS 




Research Topics
Natural sciences
» Physical and Theoretical Chemistry
» Condensed Matter Physics
» Chemical Solid State and Surface Research
» General Theoretical Chemistry
» Theoretical Condensed Matter Physics
» Theory and Modelling


Cooperations


Projects

Most significant projects
Code Indication deutsch Indication englisch Cooperation partners Funding sources/agencies Term
OrgTrans Zeitabhängige Beschreibung des Ladungstransports in molekularen Drähten: Bottom-up-Ansatz Time-dependent description of charge transport in molecular wires: bottom-up-approach Jacobs University, Universität Karlsruhe Drittmittel: DFG 2015 - 2018
PluTO+ Plasma und Optische Technologien Plasma and Optical Technologies Laser Zentrum Hannover e.V. Drittmittel: BMBF 2014 - 2017
FOR 1616 E4 Dynamics and Interactions of Semiconductor Nanowires for Optoelectronics Universität Leipzig, Technische Universität Braunschweig, Universität Jena, Universität Erlangen, Universität Duisburg-Essen, Max Planck Institut Erlangen, Universität Mainz Drittmittel: DFG 2012 - 2015
Quantrans Teilprojekt "BITT" BITT Bremer Initiative Zeitabhängiger Transporte BITT –Bremen Initiative on time-dependent Transport Freie Universität Berlin, Universität Regensburg, Forschungszentrum Jülich Drittmittel: DFG 2011 - 2013
PLUTO PLUTO Plasma und optische Technologien PLUTO Plasma and optical technology Fraunhofer IOF Laserzentrum Hannover e.V Leibniz-Institut für Plasmaforschung und Technologie Greifswald e.V. (INP) Ruhr-Universität Bochum (TET, AEPT, ES) Carl Zeiss SMT AG Jenoptik LOS Landshut Silicon Foundry GmbH Laseroptik GmbH Laserzentrum H Drittmittel: BMBF 2009 - 2013


Agencies that have funded your research during the past five years (public institutions and foundations)
» University of Bremen/Central Research Development Fund
» DFG
» BMBF
» DAAD
» International Organizations/Programs



Scientific Activities


Publications (Hyperlink)
Link (extern): http://apps.webofknowledge.com/Search.do?product=UA&SID=V1riJWNnXZzewwTQyie&search_mode=GeneralSearch&prID=2a451aa9-51aa-456d-ad50-8b19d6e0d7c9 http://apps.webofknowledge.com/Search.do?product=UA&SID=V1riJWNnXZzewwTQyie&search_mode=GeneralSearch&prID=2a451aa9-51aa-456d-ad50-8b19d6e0d7c9


Most significant Publications
Hydrogen bonding and stacking interactions of nucleic acid base pairs: a density-functional-theory based treatment
Type
Author(s)M. Elstner, P. Hobza, T. Frauenheim, S. Suhai, and E. Kaxiras
Year2000
InJournal of Chemical Physics
Year2001
Issue114
Pages5149
Link zu VolltextLink (extern): http://scitation.aip.org/content/aip/journal/jcp/114/12/10.1063/1.1329889 http://scitation.aip.org/content/aip/journal/jcp/114/12/10.1063/1.1329889
other
 
A QM/MM Implementation of the Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) Method
Type
Author(s)Q. Cui, M. Elstner, E. Kaxiras, T. Frauenheim, and M. Karplus
Year2000
InJournal of Physical Chemistry B
Year2001
Issue105/2
Pages569
Link zu VolltextLink (extern): http://pubs.acs.org/doi/abs/10.1021/jp0029109 http://pubs.acs.org/doi/abs/10.1021/jp0029109
other
 
Self-Consistent-Charge Density-Functional Tight-Binding Method for Simulations of Complex Materials Properties
Type
Author(s)M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, Th. Frauenheim, S. Suhai, G. Seifert
Year1997
InPhysical Review B
Year1998
Issue58
Pages7260
Link zu VolltextLink (extern): http://dx.doi.org/10.1103/PhysRevB.58.7260 http://dx.doi.org/10.1103/PhysRevB.58.7260
other
 
Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon
Type
Author(s)D. Porezag, T. Frauenheim, T. Köhler, G. Seifert, and R. Kaschner
Year1994
InPhysical Review B
Year1995
Issue51
Pages12947
Link zu VolltextLink (extern): http://dx.doi.org/10.1103/PhysRevB.51.12947 http://dx.doi.org/10.1103/PhysRevB.51.12947
other
 
A Self-Consistent Charge Density-Functional Based Tight-Binding Scheme for Large Biomolecules
Type
Author(s)M. Elstner, T. Frauenheim, E. Kaxiras, G. Seifert, and S. Suhai
InPhysica Status Solidi (b)
Year2000
Issue217/1
Pages375
Link zu VolltextLink (extern): http://onlinelibrary.wiley.com/doi/10.1002/%28SICI%291521-3951%28200001%29217:1%3C357::AID-PSSB357%3E3.0.CO;2-J/abstract http://onlinelibrary.wiley.com/doi/10.1002/%28SICI%291521-3951%28200001%29217:1%3C357::AID-PSSB357%3E3.0.CO;2-J/abstract
other
 


 


Resources
 




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