Psi4: An Open-Source Ab Initio Quantum Chemistry Program

Joined May 2012
Had a great first day of PsiCon21 at UGA!
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On Wednesday afternoon at #ACSFall2021, Ryan Fortenberry will be talking about our Psi4Education program. It’s a hybrid session so you can join in-person or virtually!
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Merry Christmas (or celebrated holiday) season from the pets (and developers) of Psi4.
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Shiny new stickers and no #ACSPhilly to go to. Stay well and code, everyone.
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PsiCon group photo
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PsiCon2019 attendees enjoying the wonderful Emory conference room in Atwood. GT, take note — chairs that hold, rather than eject, their occupants and are silent, rather then squawking to rival the speaker. Looking forward to PsiCon2020 at CCQC at UGA!
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Rollin King reporting on Optking. Challenging optimization — can do. Figuring out who calls who to satisfy all use cases in a distributed ecosystem with multiple entry points — WIP.
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Two approaches to improving dispersion in SAPT. -D for speed by Dom Sirianni with David Sherrill. F12 for accuracy by Monika Kodrycka with Konrad Patkowski.
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Wallace Derricotte explains interfacing psi4 and others with pyREX for reaction post-processing.
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⁦@ARingerMcDonald⁩ presents connections to expand access to Psi4 beyond the development community at PsiCon2019.
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Wrapping up Day 1 of PsiCon2019 at Emory, with a talk by Paul Ayers about HORTON
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Psi4 and Psi4NumPy spotted in the wild for data driven wavefunction methods at the EuChemS Computational & Theoretical Chemistry Conference by @JonesGrier! #compchem
Chemistry and Materials lunch at Scipy2019.
More details on ⁦@MolSSI_NSF⁩ ‘s QCArchive project by ⁦⁦@dga_smith⁩ at MLSE conference at GaTech.
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Psi4Numpy backing machine learning by Jacob Townsend out of Vogiatzis group at MLSE conference at GaTech.
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Thanks, ⁦@MolSSI_NSF⁩ and organizers ⁦@dga_smith⁩, ⁦@jesacat⁩ for a great symposium at #ACSOrlando. Dip in Psi4 github activity this week to learn from and talk with CMS community. Today symp. finally got a room with walls — very appropriate room number.
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A nice image from Lori Burns presented at #ACSOrlando about the growing Psi4 ecosystem. Great to be part of an ecosystem of over 60 modules in a variety of different programming languages! #compchem
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Free embarrassing parallelism and nifty interactive visualization coming soon to Psi4 thanks to the distributed driver and ⁦@MolSSI_NSF⁩ ‘s QCArchive qcarchive.molssi.org . Great talk by Levi Naden at #ACSOrlando
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Psi4 users and devs at ⁦@ACSCOMP⁩ poster session at #ACSOrlando #compchem
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