TH
Thomas Heine
Yonsei University, Technische Universität Dresden, Clausthal University of Technology, Helmholtz-Zentrum Dresden-Rossendorf
Research areas: Materials Science · Electronic, Optical and Magnetic Materials · Crystal Structures and Properties · Advanced Chemical Physics Studies · Crystallography and molecular interactions
0000-0003-2379-6251
About
Thomas Heine graduated from TU Dresden (Germany) and, after postdoctoral stages in Bologna (Italy), Exeter (UK) and Dresden became Associated (2008) and Full (2011) Professor of Theoretical Physics/Theoretical Materials Science at Jacobs University Bremen (Germany). From 2015-2018 he was professor of Theoretical Chemistry at the Wilhelm-Ostwald-Institute at Leipzig University (Germany). In 2018 he accepted the Chair of Theoretical Chemistry at TU Dresden. His research interests include the development of methods and software for materials science, molecular framework compounds, 2D inorganic materials and theoretical spectroscopy.
Employment
-
Yonsei University Professor of Chemistry (part-time)2020 - Present
-
Technische Universität Dresden Chair of Theoretical Chemistry2018 - Present
-
Helmholtz-Zentrum Dresden-Rossendorf Group leader Theoretical Chemistry2018 - Present
-
Universität Leipzig Professor of Theoretical Chemistry2015 - 2018
-
Jacobs University Bremen gGmbH Professor of Theoretical Physics2008 - 2015
Education
-
TU Dresden Dr. rer. nat.1995 - 1999
-
TU Clausthal Dipl.-Phys.1992 - 1995
Projects & Funding
-
Designing and screening two dimensional covalent organic frameworks for effective water splitting European Commission2017 - 2019
-
Origin of Flexibility and Mechanisms of Responsivity from first principles (QP1) German Research Foundation2016 - Present
-
Photophysical and photoelectric properties of porphyrin-based MOF thin films German Research Foundation2016 - Present
-
Smart materials with remote-controllable, functional molecules Volkswagen Foundation2015 - 2018
-
Theoretical investigation of electronic transport in functionalized 2D transition metal dichalcogenides German Research Foundation2015 - Present
-
Nanoelectronics based on two-dimensional dichalcogenides European Commission2013 - 2017
-
An Optimised Genetic Algorithm to Computationally Predict a Metal-Organic Framework to Separate Helium from Methane European Commission2013 - 2015
-
Enhanced water splitting activity through flame made heterojunctions of doped and functionalized mixed metal oxide nanoparticles predicted by combinatorial computational materials design German Research Foundation2012 - 2016
-
Tailoring 2d transition metal dichalcogenides for electronic applications German Research Foundation2012 - 2016
-
New Propagation Techniques for the simulation of dynamical processes in extended systems European Commission2012 - 2016
-
Computer simulations of thermally excited molecules and materials by first principles European Commission2012 - 2015
-
Tailoring 2d transition metal dichalcogenides for electronic applications Swiss National Science Foundation2012 - 2014
-
Combinatorial Computational Chemistry A new field to tackle environmental problems European Research Council2011 - 2016
-
Novel Nanostructures Based on Imogolite Nanotubes, Their Derivatives and Applications German Research Foundation2011 - 2014
-
Adsorption of harmful gases in MOFs and their spectroscopic properties German Research Foundation2011 - 2015
-
Quantum-mechanical simulations for the nanoscale European Commission2010 - 2014
-
New materials for hydrogen powered mobile applications European Commission2009 - 2012
-
Systematic Study of hydrogen adsorption in metal organic frameworks German Research Foundation2008 - 2016
-
Development and application of a powerful computational tool for the topological analysis of molecular fields German Research Foundation2006 - 2010
-
Gast-Wirt-Wechselwirkungen, Diffusion und mechanische Eigenschaften von festen Fullerenphasen, Fulleren-Komposit- und Kohlenstoff-basierte Nanostrukturen, mechanische Eigenschaften, Nano Sieving German Research Foundation2003 - 2011
-
Computational Quantum Chemistry of Increasingly Complex Systems Swiss National Science Foundation2001 - 2003
Publications (384)
- Guidelines for band gap opening in graphene superlattices with periodic π-vacancy distribution Save
- When are Two‐Dimensional Covalent Organic Frameworks Good Electrodes for Lithium Ion Batteries? A Data‐Driven Analysis Save
- Assessing the Limits of He Isotope Separation Under Confinement in Nanoporous Materials Save
- Formamidine-Linked Covalent Organic Frameworks Save
- PtSe2/Graphene Interfacial Coupling Enhances the Intrinsic Electrocatalytic Activity of PtSe2 Edge Sites Save
- Spectrally Programmable Spin‐Polarized Photocurrents in WSe2–NiPS3 Magnetic van der Waals Heterostructures Save
- Crystal Anisotropy Implications on the Magneto‐Optical Properties of van der Waals FePS3 Save
- Network Topology Governs Photocatalytic Water Splitting in Organic Two‐Dimensional Crystals Save
- Suppressed excitonic effects enable high mobility and high-yield photoconductivity in a pyridine-coordinated two-dimensional polymer crystal Save
- Defects That Magnetize Beyond Monolayer PtSe2 Save
- Vibrant: A Post-Processing Tool for Computational Vibrational Spectroscopy of Molecules, Liquids and Materials Save
- Strain‐Field‐Induced Bandgap Opening in Bilayer Graphene Save
- Band Alignment in In‐Oxo Metal Porphyrin SURMOF Heterojunctions Save
- Formamidine-Linked Covalent Organic Frameworks Save
- Metal-Free Ferromagnetism in Triangulene Two-Dimensional Frameworks Save
- Edge‐State Competition in a 2D Topological Insulator‐Semiconductor Heterostructure Save
- Prediction of strong Cu(I)–He interaction at open metal sites enables isotope-selective helium adsorption Save
- FAIR-MOFs: Structure-centred synthesis inference from three-dimensional structures of metal-organic frameworks Save
- Non-covalent assembly-enabled selectivity in aqueous microdroplets Save
- Defects that magnetize beyond monolayer PtSe2 Save