My group Yale Chemistry has open postdoc positions to work on electronic structure theory for periodic systems, ab initio materials simulation, and machine learning. Follow the link to apply and for details. RT appreciated! Chemjobber #chempostdoc #compchem jobrxiv.org/job/yale-unive…

Check out our Multi-State Harmonic (MSH) models with globally shared bath, which includes static disorder of different reorganization energy environments! aip.scitation.org/doi/10.1063/5.…

Check out our recent machine-learning model for predicting the charge-transfer rate of OPV molecules in the condensed phase! pubs.acs.org/doi/10.1021/ac…

Want to know about machine learning for predicting quantum dynamics using CNN-LSTM? See our recent JCP paper at aip.scitation.org/doi/10.1063/5.…

Calculating interfacial charge transfer rates in #OPV with CTRAMER, an all-in-one open-source software with support from #DOE Margaret S. Cheung Ph.D. @xiangsunlab go.acs.org/ed

Shanghai is in lockdown due to COVID-19 for several weeks now, when all the delivery has stopped. I sincerely hope it will be lifted soon.

I have a postdoc opening in my group at NYU Shanghai NYU Shanghai NYU Chemistry, research area: Quantum Dynamics and Spectroscopy in the Condensed Phase. See Nature Careers ad here nature.com/naturecareers/…

Had a great time attending #TSRC workshop TSRC on spectroscopy and dynamics of floppy molecules, organized by Zlatko Bacic, Tucker Carrington and Tuckerman Group. Learned a lot, met old friends and made new ones. Telluride is so beautiful!

[ASAP] All-Atom Nonadiabatic Semiclassical Mapping Dynamics for Photoinduced Charge Transfer of Organic Photovoltaic Molecules in Explicit Solvents ift.tt/BOdi845

Check out our recent paper on all-atom nonadiabatic dynamics of OPV charge transfer! Well done, Zhubin!

Check out our recent work on open-chain path-integral for charge transfer! A great collaboration with Tuckerman Group NYU Chemistry

#VISTATalks, Wed, Oct 19 10:00 EDT / 15:00 BST / 16:00Paris Yang Yang (U Wisconsin-Madison): Nuclear quantum effects in MolDyn for vib spectra Dominikus Brian (NY U Shanghai): CT and structure–rate relation in cond. phase via #MachineLearning quantum-dynamics-hub.github.io/VISTA/ #compchem

Come do a #PhD in #chemistry (#theoreticalchem/#compchem focus) NYU Shanghai! Info session Nov 8th 10 am China time (Nov 7th 9 pm EST). RSVP: wenjuan.com/s/6ZnmyiC #phdposition #phdstudies #phdfellowship #doctoralstudies

Check out our #compchem work on heterogeneous environments on energy transfer in FMO! Thanks for the kind invitation from The Journal of Physical Chemistry to contribute to Early Career and Emerging Researchers in Physical Chemistry (Vol 2)! pubs.acs.org/doi/10.1021/ac…

I am hiring two postdocs in quantum dynamics and ultrafast spectroscopy of complex condensed phases in my group at NYU Shanghai. Developed methods will be applied to understand charge and energy transfer in solar cell energy materials. See apply.interfolio.com/117453 Please RT!

Excited to teach a grad course at NYU! Happy new year of rabbit! 新年快乐！

Statistical Mechanics: Theory and Molecular Simulation, 2nd Edition, now available on Amazon [amazon.com/Statistical-Me…] and will be available on Oxford University Press later this month for the electronic version, October for the hardcover version.

NYU Shanghai NYU Shanghai has opened a tenured/tenure track faculty position in Experimental Physical Chemistry. Deadline is Oct 31 apply.interfolio.com/133399 Please forward to whom might be interested!

Check our our new work on Multistate Reaction Coordinate Model for Charge and Energy Transfer Dynamics in the Condensed Phase in #JCTC ⁦JCIM & JCTC Journals⁩ ⁦⁦JCTC Papers⁩ ! pubs.acs.org/doi/10.1021/ac…

Our next Emerging Leader 2023 highlight is Xiang Sun's research on 'Instantaneous Marcus theory for photoinduced charge transfer dynamics in multistate harmonic model systems'. Xiang is an Assistant Professor of Chemistry at New York University Shanghai. 📎: