Gaurav Harsha
@gaurav_harsha
Postdoctoral research fellow @UMich
Tal vez te guste
Early Xmas updates!! Our paper "Quasiparticle and fully self-consistent GW methods: An unbiased analysis using Gaussian orbitals" is now published in @PhysRevB Check it out at: journals.aps.org/prb/abstract/1…
Attended the @OpenACCorg #OpenHackathon last week, hosted by @TACC! Our team The Self-Energized boosted GPU performance of green-phys.org, our first-principles materials code, by 20% 🚀 Thanks to mentors from @NVIDIA and @LBNLscience for the collaboration!
🎈Asthana group🎈 is looking for motivated PhD students, interested in working at the intersection of quantum computing 💻 and quantum chemistry🧪. theasthanagroup.com
The professor and the pendulums. We know what will happen when one pendulum swings. But two? 'Oxford Mathematicians and their Toys', episode three, starring @jon_ox (and the pendulums).
Delighted to share our new preprint on analysis of different self-consistency schemes in the GW method. If you use quantum chemistry methods to study band structures in materials or ionization potentials in molecules, please checkout our work: arxiv.org/abs/2406.18077
A bit about electronic correlations, and a couple of fun links. nanoscale.blogspot.com/2024/04/electr…
Check out the new multi-author review of “GPAW: An Open Python Package for Electronic Structure Calculations," just published in the Journal of Chemical Physics, which includes a description of some future plans for GPAW. 👀 doi.org/10.1063/5.0182…
It took a while, but my article is now out in the April issue of Scientific American. scientificamerican.com/article/quantu…
we investigate the ability to extract qualitative insight from accurate TPSCI wavefunctions. The local representation makes several qualitative features immediately accessible. Nice work Nicole Braunscheidel and @ArnabBachhar! @VTChemDept arxiv.org/abs/2403.06913
Exciting new developments in relativistic GW methods coming from Zgid group. The challenges in this approach are clearly discussed in this paper by @gaurav_harsha @DominikaZgid @vibinabraham22
Check out our latest preprint with @vibinabraham22 and @DominikaZgid where we show that for quantum systems with heavy elements, capturing the interplay of relativity and electron correlation can be pretty challenging, atleast in Green's function methods. arxiv.org/abs/2403.03961
We are hiring! :) Our growing team at UND is looking for a postdoc researcher to collaborate on exciting quantum computing applications in quantum chemistry. Please reach out to us is you or anyone you know may be interested. Retweets are appreciated! linkedin.com/jobs/view/3818…
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Overcoming long-standing numerical challenges, a new formulation of Wick's theorem enables accurate and efficient computation of matrix elements between arbitrary Hartree-Fock-Bogoliubov states. @ScuseriaGroup @GuoChenChem aippub.org/3RWcoTj
Please checkout our new work on the superconducting trends in doped cuprate materials from a quantum chemists' perspective: arxiv.org/abs/2306.16561
The ICQC in Bratislava has started. Here are the recent recipients of the annual IAQMS medal for scientists no older than 40 presented by the IAQMS President O. Eisenstein (right). From the left: S. Sharma, D. Ghosh, F. Evangelista, J. Toulouse, D. Zgid. Warmest congratulations!
A new paper @JPhysChem from our group on thermofield theory by @gaurav_harsha, Thomas Henderson, and Gustavo Scuseria (arXiv: 2303.12318). doi.org/10.1021/acs.jp…
During my PhD in @ScuseriaGroup, I worked on developing finite-temperature wave function theories. If you are interested in the topic, but missed out on our previous works, here's our latest (short) review article arxiv.org/abs/2303.12318
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