The NOMAD Laboratory
Novel Materials Discovery at the FHI of the Max-Planck-Gesellschaft
and IRIS-Adlershof of the Humboldt-Universität zu Berlin
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Heat and Charge Transport
Matthias Scheffler
WELCOME
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The focus of the Heat and Charge Transport Group is the accurate first-principles assessment of macroscopic transport properties of bulk solids from their microscopic characteristics. This involves the application, improvement, and development of novel computational algorithms for the treatment of electron-phonon coupling both perturbatively and via ab initio molecular dynamics. |
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NEWS
- April 15, 2021: Bo Zhao is visiting for an internship.
- February 1, 2021: Jingkai Quan has joined the team – Looking forward to great research.
- December 2, 2020: The FHI-vibes paper has been published in JOSS. Try it out and check the documentation!
- August 27, 2020: Florian's (first) opus magnum on anharmonicity is now online at Phys. Rev. Mat. Way to go!
- July 21, 2020: Marios' work on fully-anharmonic, temperature-dependent electronic band structures appeared in Phys. Rev. B. Congrats!
- March 23, 2020: Guohua's work on machine-learning topological properties of tetradymites was published in Phys. Rev. Materials. Great international collaboration!
- December 19, 2019: Maja's first paper as first author appeared in NPJ Computational Materials. Congrats Maja and Tom!
- August 15, 2019: Nikita Rybin has joined the group as a Ph.D. student.
- April 1, 2019: Alaa Akkoush and Jong Hyun have joined our group as six-months visitors. Welcome Alaa and Jong!
- February 1, 2019: The group is attending the DPG Spring Meeting. For a list of presentations click here.
- October 1, 2018: Marios has has joined our group as a postdoc. Welcome Marios!
- August 1, 2018: Thom has joined our group and the Big-Data Analytics for Material Science group as a postdoc. Welcome Thomas!
- July 15, 2018: Sara has joined the group as a postdoc. Welcome Sara!
- June 22, 2018: Hui's paper on the linear response theory of electric fields was accepted by the New Journal of Physics. Great collaboration with the SAbIA group!
- May 28, 2018: Marcel has joined the group as a master student. Welcome Marcel!
- May 8, 2018: Agnish has joined our group as a DAAD WISE intern. Welcome Agnish!
- March 25, 2018: Our long-standing collaboration with the group of Prof. Juri Grin at the Max-Planck-Institute for Chemical Physics of Solids has been successful again: Karsten's work on Boron Carbides has been accepted for publication in Angewandte Chemie. Congrats Karsten!
- March 2018: The group is attending the APS March and DPG Spring Meeting. For a list of presentations click here and here.
- October 15, 2017: Paul joined the group as a bachelor student. Welcome!
- July 31, 2017: Zhenkun joined the group as a PhD student. Welcome Zhenkun!
- July 31, 2017: Sibo is visiting the group for a couple of months and started right away with attending the Hands-On Workshop.
- June 6, 2017: Our collaborative research with the group of Prof. Juri Grin at the Max-Planck-Institute for Chemical Physics of Solids has been published in Physical Review Letters, also see the press release. Congrats Amrita!
- June 1, 2017: Carlos Acosta has returned to Brazil after a very productive one year visit. Looking forward to seeing you again, soon!
- May 1, 2017: Björn Bieniek left the group. Good luck Björn for all your future endeavors.
- April 28, 2017: Our work "Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids" was published in Physical Review Letters.
- April 19, 2017: Christian is teaching the Theoretical Material Science classes and exercises at TU Berlin this semester.
- March 19, 2017: The group is attending the DPG Spring Meeting. For a list of presentations click here.
- March 8, 2017: Mohsen Yarmohammadi has joined the group as a PhD student. Welcome, Mohsen!
- March 7, 2017: Hongui's paper on Lattice dynamics calculations based on density-functional perturbation theory in real space has been published online in Computer Physics Communications. Congratulations Hui!
- February 3, 2017: New group website infrastructure online: Major overhaul of the content in progress.