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Meet Kevin Gerein at FAU Erlangen-Nbg, under Prof. Andreas Hirsch. He studies spatially resolved chemical functionalization of graphene via #RamanSpectroscopy and scanning probe #microscopy, developing controlled functionalization protocols for #graphene

From our research: Relaxation effects in transition metal dichalcogenide #bilayer #heterostructures Work in npj Journals by ITN student Wei Li Wei Li, Thomas Brumme, and prof. Thomas Heine from TU Dresden Theoretical Chemistry at TU Dresden. nature.com/articles/s4169… #OpenAccess #TMDC #2D

Congratulations to Michaela on successfully defending her master thesis! Her research on photoswitchable substituents is a great contribution to the #PPAP project. We wish Michaela all the best for her future career! 🎓 #Graduation #Master #Science TU Dresden @TUD_Science

Now JCIM & JCTC Journals - Dorothea Golze and team Theoretical Chemistry at TU Dresden developed ab initio molecular dynamics methods to compute IR and Raman spectra of #COFs (incl solvent impurities), highlighting the interplay of theory and experimentalists in CRC 1415! Thomas Heine pubs.acs.org/doi/10.1021/ac…

Interlayer #Exciton–#Phonon Coupling in MoSe2/WSe2 Heterostructures Nano Letters By Thomas Brumme Theoretical Chemistry at TU Dresden @TUD_Science together with prof. Reich Freie Universität & prof. Korn Universität Rostock pubs.acs.org/doi/full/10.10… #TMDs #CompChem CRC 1415 2dmp #MatSci #Heterostructures

New #preprint: Interlayer #Magnetic Coupling in FePS3 and NiPS3 Stacked #Bilayers Read the latest work by Beatriz Costa, Thomas Brumme and Thomas Heine @TUD_Science together with Andrea Leon Física U.Chile arxiv.org/abs/2410.13540… #MatSci #CompChem CRC 1415 #magnetism #condmat

Very happy to participate in CRC 1415 retreat in Bad Schandau, present our work on point defects of PtSe2 and their impact on electronic, transport and magnetic properties. Many thanks to my supervisors Thomas Heine and Valeria Nicolosi for all the guidance and support. #PhDlife

New work of our #PhD #student Majid Shaker in ACSEnergyLett Coverage- and temperature-induced self-metalation of tetraphenyltransdibenzoporphyrin on Cu(111) By group of Hans-Peter Steinrück FAU Erlangen-Nbg and #coworkers iopscience.iop.org/article/10.108… #DFT #porphyrins #matsci #chemtwitter

#Hiring: TWO #postdoc #positions in Dorothea Golze group in #ERCStG Photomat TU Dresden for 1+ year starting 1.2.25. Apply by Dec 10th! verw.tu-dresden.de/StellAus/stell… Topic: develop tools for excited-state simulations in #materials #chemtwitter #compchem #academicjobs #phd #chemjobs

Zwei neue Sonderfor­schungsbereiche/Transregios mit Beteiligung der #TUDresden wurden von DFG public | @[email protected] bewilligt. Im Fokus stehen die nächste Generation mikroelektronischer Bauelemente & die Herstellung von Übergängen zwischen Faser-Kunststoff-Verbunden. ℹ️ tu-dresden.de/tu-dresden/new…

New #preprint in Journal of #Opensource Software JOSS by Moritz Leucke, Ramon Panadés, Ekin Bas and Dorothea Golze Analytic continuation component of the GreenX 2 library: robust Padé approximants with symmetry 3 constraints github.com/openjournals/j… #theochem #compchem

Dr. Jan Wilhelm, Universität Regensburg, is visiting the #CRC1415. His fantastic presentation on „Towards Real-Time Simulations of Ultrafast Electron Dynamics with Atomic Resolution“ was a great addition to our work on synthetic 2D materials.

Skeletal Nitrogen Functionalization of Isostructural 2D Conjugated MOFs for Enhancement of the Dual-Ion Storage Capacity (Renhao Dong and co-workers) Renhao Dong-TUD Xinliang Feng Lukas Sporrer cfaed | TU Dresden 🇪🇺 CRC 1415 • onlinelibrary.wiley.com/doi/10.1002/an…

Take a look at this new preprint from Alexander Knebel now online ChemRxiv! A nominally nonporous MOF MIL-116(Ga) was used to separate Helium from natural gas, a critical task to ensure Helium availability! Glad Karen and me could contribute! chemrxiv.org/engage/chemrxi…

New #preprint by Alireza Ghasemifard Alireza Ghasemifard, Agnieszka Kuc and Thomas Heine Computational guide to optimize electric conductance in #MoS2 films arxiv.org/abs/2411.11618 #DFT #Openscience #matsci #compchem #TMDs #semiconductors #thinfilms

Please repost: We have THREE open #PhD positions in theoretical #chemistry. Deadline Jan 6th Topic: Ion #transport in atomically thin #membranes made of 2D #polymers and #graphene derivatives verw.tu-dresden.de/StellAus/stell… #phdjobs #chemtwitter #phdlife #PhDposition #AcademicChatter

Jun.-Prof. Dr. Frederik Haase, Martin-Luther-Universität Halle-Wittenberg, is visiting the #CRC1415. For the monthly CRC colloquium, he gave a lecture on „Inducing and Reducing Polymorphism in Covalent Organic Frameworks“. Thanks for the inspiring talk!

The 12th Singapore international chemistry conference, my last academic meeting of 2024, also my first ever visit to Singapore. Had a lot of fun meeting many old friends.

Heavy Atom Cluster Chains with Strong Spin–Orbit Coupling and Magnetic Cations in Mn[PtBi6I12] in ACS Publications Inorganic Chemistry Work by Rico Friedrich with Michael Ruck @TUD_Science ct.qmat pubs.acs.org/doi/10.1021/ac… #chemtwitter #matsci #compchem #semiconductor #SOC

Sharing appreciated: Apply by Jan 6th for 3 #PhD positions in theoretical chemistry TU Dresden Topic: Ion transport in atomically thin membranes made of 2D polymers and graphene derivatives verw.tu-dresden.de/StellAus/stell… #compchem #phdlife #phdjobs #chemjobs #theochem #chemtwitter