Top Tweets for #QuantumEmbedding
Thanks to *very realistic* ab-initio simulations based on #QuantumEmbedding, we unravel mysterious aspects of transition metal hydration. Want to know what mesoshells and hydrogen-bond domes are?
#CompChem @Rutgers_Newark @RutgersSASN
https://t.co/F26ng3t8XW
Postdoc in the Galli Group: We are looking for a motivated individual to work on the development of quantum embedding techniques for electronic structure calculations on classical and quantum computers (https://t.co/BaL8QEgVHK)
#quantumcomputing #quantumembedding #spindefects
Jessica @jessica941205 mesmerizes the #QuantumEmbedding crowd! The ionization potential of water has never been so accessible #compchem #RutgersResearch
It's happening #ACSSpring2022! Stampede-on your way to 28-A for fun symposium on #QuantumEmbedding. If you miss it, no worries here's a QR to yours truly's slides. #compchem
X-ray restrained extremely localized molecular orbitals @ActaCrystB @IUCr #XRayRestrainedWavefunctionXRW #ExtremelyLocalizedMolecularOrbitalsELMOs #QuantumEmbedding https://t.co/pN017WXbHW
@LeightonOJones @MartinMosqueraT @quantum_chem @ResearchNU @NUChemistry @asmusodsat @luukvis Fractional electron number in Nโcentered ensemble DFT? Yes, we can! #QuantumEmbedding #OpenAccess paper @BSenjean & Emmanuel Fromager ๐ #CompChem
https://t.co/6hxwY8R6lR
@LeightonOJones @MartinMosqueraT @quantum_chem @ResearchNU @NUChemistry @asmusodsat Next up - Is it worthwhile to go beyond the localโdensity approximation in subsystem DFT? Meh, say @luukvis & coworkers
https://t.co/QIwQGjtaiQ
#QuantumEmbedding #CompChem
If you want to learn about #QuantumEmbedding, #MachineLearning, and ab initio #compchem, as well as to check out the easy-to-use cloud-based Jupyter interface for Entos, join us tomorrow! Registration is open to everyone, and the cloud-hours are complementary.
Upcoming TAMU HPRC Short Course: Introduction to Entos - QM Simulation Software for PCs, HPC, and the Cloud
Instructors: Thomas Miller @tfmiller3 & Daniel Smith
Friday, 4/10, 1:30-4PM
Registration: https://t.co/lApKxEjnEi
#compchem #entos #QuantumEmbedding #HPC #TAMU @EntosAI
Upcoming TAMU HPRC Short Course: Introduction to Entos - QM Simulation Software for PCs, HPC, and the Cloud
Instructors: Thomas Miller @tfmiller3 & Daniel Smith
Friday, 4/10, 1:30-4PM
Registration: https://t.co/lApKxEjnEi
#compchem #entos #QuantumEmbedding #HPC #TAMU @EntosAI
Very cool methodology for addressing the issue of virtual space truncation in projection-based wavefunction-in-DFT embedding. Well done, @dc_claudino and @nick_mayhall! #quantumembedding
Significantly reduce the cost of WF-in-DFT embedding calculations using "concentrically localized" orbitals. tldr: essentially a recursive SVD partitioning of the virtual space. https://t.co/edzVBxt7B4 @dc_claudino @VTChemDept #compchem
Wish to join PRG? We are looking for PhD students! https://t.co/d319AsaChX
#compchem #QuantumEmbedding #chemjobs #chemistry #PhD
#entos is on the cover of Science!
Featuring our embedded mean-field theory #QuantumEmbedding for accurate and efficient electronic structure.
Congrats and thank you to the amazing #entos developers that made this possible!
https://t.co/L5b1xmcfmP
On the cover @sciencemagazine! Fascinating H-on-graphene scattering dynamics. Wonderful collab with Wodtke group experiments and great combo of #QuantumEmbedding, #PathIntegrals, and @entos_info #compchem software.
@FredManby @Caltech @maxplanckpress
https://t.co/nwRZbIoKZx
Hot off the press! Our review on wavefunction-in-DFT #QuantumEmbedding. High accuracy for transition-metal catalysts, enzymes, materials. Congrats Sebastial Lee and @mattgwelborn!
@FredManby @CaltechChem @resnick_caltech @MolSSI_NSF @ACSPublications
https://t.co/qlr8ZTAXRN
Last batch of pictures from #QuantumEmbedding #ACSOrlando - so many new ideas and directions for Embedding and #compchem... Already looking forward to the next Embedding symposium!! @luukvis @aspgpp @pdes_dtu @AdamWassermanR @Wenhui1008
#QuantumEmbedding in its last day. Still going strong! #compchem
@caricato @pdes_dtu
@gaussian peeking in ...
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