PSI4
@PSI_Code
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Psi4: An Open-Source Ab Initio Quantum Chemistry Program
Joined May 2012
RT @MolSSI_NSF: On Friday (April 5), the MolSSI QCArchive/OpenFF server logged over 1.09 million completed calculations in 24 hours--over 1….
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RT @MolSSI_NSF: This year’s Psi4 Developers’ Conference, PsiCon 2022, will take place in Blacksburg, VA, on Dec 9 and 10 at the Inn at Virg….
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RT @MolSSI_NSF: We are highlighting talks/tutorials from MolSSI’s recent workshop on HPC in Computational Chemistry & Materials Science. T….
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RT @ColeGroupNCL: . and our force fields can now be entirely derived using open source software. Many thanks to software infrastructure f….
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RT @alex_mackerell: We've been doing very large numbers of QM calculations to create data sets for AI models to facilitate force field deve….
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RT @desmond_toa: @ACSCOMP Love at first screen calculating non-covalent interactions in algal phycobiliproteins using SAPT in @PSI_Code. 🤣.
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RT @JakobKottmann: Explicit correlation for quantum algorithms: Philipp Schleich has explored and implemented Kong and Valeev's [2]-R12 wit….
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A hybrid PsiCon'21 will be hosted by UGA on Fri, Dec 3 and Sat, Dec 4. Register now at
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RT @ARingerMcDonald: I am so excited and honored to be joining the MolSSI Board of Directors! The MolSSI Education mission is critical for….
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RT @ghutchis: @cortogantese @DerkKooi @ChemistryUNB Also @PSI_Code has some great notebooks already too (. I'd also….
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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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RT @keennethy: We used metadynamics simulations to generate three diverse conformers per molecule and optimized the structures using the GF….
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RT @simonduerr: Tiny script to visualize normal modes from molden files (e.g computed using @PSI_Code ) in jupyter notebooks. https://t.co/….
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RT @burns_jed: @simonduerr @KozuchSebastian @PSI_Code This. Psi4 python with tutorials is great - too many students (and academics) think Q….
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RT @simonduerr: @KozuchSebastian We are planning something similar for our Introduction to Electronic Structure methods course and we'll be….
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