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#forcefields search results

JorgensenWL's profile picture. Chemistry Prof @ Yale; founding Editor JCTC; OPLS, TIPnP, FEP, Drug Design
William L. Jorgensen
@JorgensenWL
May 6, 2019

#JCTC Check out the Virtual Issue on #ForceFields - some of the best papers since 2012! pubs.acs.org/page/jctcce/vi…

JorgensenWL's tweet image. #JCTC Check out the Virtual Issue on #ForceFields - some of the best papers since 2012! pubs.acs.org/page/jctcce/vi…
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Sharessan's profile picture. I play videogames and write wiki edits. Polyam and down to clown. 😤♥️ Meet me at https://t.co/4mxZ6hkWGL
Cher Tailor
 @Sharessan
Dec 14, 2018

In the glitterworlds, folks use forcefields for all sorts of things. "Sideless glasses" for example--an expensive but amusing novelty. #scifi #forcefields

Sharessan's tweet image. In the glitterworlds, folks use forcefields for all sorts of things. "Sideless glasses" for example--an expensive but amusing novelty. #scifi #forcefields
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Gymclassvr's profile picture. Get our top rated experience on Meta Quest 🏀⚾🏈. Download and play free.👇
Gym Class VR
@Gymclassvr
Apr 8, 2021

Uninterrupted play coming soon! ✅ #forcefields

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SofiaBariami's profile picture. Associate product manager at Cresset software and discovery
Sofia Bariami
 @SofiaBariami
Aug 24, 2020

Interested in #compchem and #forcefields? Have a look at my poster submission for #ScotCHEM2020: "Implementation and Validation of the QuBe Force Field in Sire MD Framework" Any questions/comments are welcome! 👩‍💻👩‍🔬 @EdinburghChem @CHEMScot

SofiaBariami's tweet image. Interested in #compchem and #forcefields? Have a look at my poster submission for #ScotCHEM2020: "Implementation and Validation of the QuBe Force Field in Sire MD Framework" Any questions/comments are welcome! 👩‍💻👩‍🔬 @EdinburghChem @CHEMScot
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ForceFieldsWI's profile picture. We wub in peace 👽 June 5-6, 2026 2 days, 4 stages, 4,000 campsites Cadott, WI
Force Fields
 @ForceFieldsWI
Jan 29

🛸💫 Unveiling new dimensions in sound and light at #ForceFields

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dr_k_choudhary's profile picture. Data-driven Materials Design Assistant Professor @JohnsHopkins | Scientist @NIST | PhD @UF
Dr. Kamal Choudhary
 @dr_k_choudhary
Dec 17

Check out CHIPS-FF: A Benchmarking Platform for Universal Machine Learning Force Fields! 🚀 Manuscript: arxiv.org/abs/2412.10516 💻 GitHub: github.com/usnistgov/chip… 📊 Leaderboard: pages.nist.gov/jarvis_leaderb… #MachineLearning #ForceFields #CHIPSAct

dr_k_choudhary's tweet image. Check out CHIPS-FF: A Benchmarking Platform for Universal Machine Learning Force Fields! 🚀 Manuscript: arxiv.org/abs/2412.10516 💻 GitHub: github.com/usnistgov/chip… 📊 Leaderboard: pages.nist.gov/jarvis_leaderb… #MachineLearning #ForceFields #CHIPSAct
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XtalPi's profile picture. Revolutionizing Molecular Research with AI & Robotics R&D Platform
XtalPi
 @XtalPi
Oct 22, 2019

Second day of #RSFD19 is in session. Prof. Michael Schneider from @uiowa just shared his results using alchemical free energy simulations with advanced polarizable #forcefields to predict the structure, stability, and solubility of organic crystals.

XtalPi's tweet image. Second day of #RSFD19 is in session. Prof. Michael Schneider from @uiowa just shared his results using alchemical free energy simulations with advanced polarizable #forcefields to predict the structure, stability, and solubility of organic crystals.
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ppxasjsm's profile picture. PhD, Chancellor's Fellow @EdinburghChem, Computational Chemist and Maths public engagement enthusiast. (she/her) 🇺🇦
Antonia Mey
 @ppxasjsm
Oct 20, 2020

And for good news Tuesday find out about how QUBE is now available in Sire/OpenMM and can be readily used to compute binding affinities! Full paper here: bit.ly/37qOJmS #compchem #MD #Forcefields

ppxasjsm's tweet image. And for good news Tuesday find out about how QUBE is now available in Sire/OpenMM and can be readily used to compute binding affinities! Full paper here: bit.ly/37qOJmS #compchem #MD #Forcefields
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lionheartchurch's profile picture.
Lionheart Church
 @lionheartchurch
Sep 5, 2020

As we continue in prayer we declare that no plague will come near your household or business this year. You will remain untouchable! #forcefields #untouchable #dominate

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karmecon's profile picture. Executive cat herder at @openmsf
Karmen Condic-Jurkic
 @karmecon
Oct 17, 2020

Big congratulations to the whole #OpenFF team for putting in writing the epic effort behind Parsley -- the first optimized Open Force Field! Onwards and upwards to better #forcefields and may there be many more to come! #PreprintCelebration 📝🍾🎉🎈#compchem

openforcefield's profile picture. An open source, open science, and open data approach to better biomolecular force fields.
Open Force Field Initiative
 @openforcefield
Oct 16, 2020

We’re delighted to announce that, at long last, our preprint describing our first major force field release, OpenFF-1.0 (Parsley), is now out on chemRxiv! chemrxiv.org/articles/prepr… Benchmarking here: doi.org/10.26434/chemr… #compchem #OpenFF 🥳🎉

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Psik_Network's profile picture. Psi-k is a network, co-ordinated by a series of working groups, to help build cooperation in the field of electronic structure calculations
Psi-k
 @Psik_Network
Jun 10, 2022

Call for 2 postdoctoral fellowships in Computational Chemistry at The University of L'Aquila... Systematic parameterization of classical #forcefields for drug-like molecules from #quantum chemical data... psi-k.net/jobs/2-postdoc…

Psik_Network's tweet image. Call for 2 postdoctoral fellowships in Computational Chemistry at The University of L'Aquila... Systematic parameterization of classical #forcefields for drug-like molecules from #quantum chemical data... psi-k.net/jobs/2-postdoc…
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richardpmoore23's profile picture. Follows Jesus, married @singsimone, father, youth church planter, missionary to Germany, author of #DIVERGENTTHEOLOGY & “ENTWURZELT” in German
Richard P Moore
@richardpmoore23
Oct 22

youtu.be/4Vsfy2SUnbI?si… In this episode of Firm Foundation #krisvallotton , ​⁠ #prophesies the release of spiritual #forcefields over people. This video is the final nail in the coffin that shows that @bethel ⁠ is beyond the scope of #Christianity by #prophesying Force Fields…

richardpmoore23's tweet image. youtu.be/4Vsfy2SUnbI?si… In this episode of Firm Foundation #krisvallotton , ​⁠ #prophesies the release of spiritual #forcefields over people. This video is the final nail in the coffin that shows that @bethel ⁠ is beyond the scope of #Christianity by #prophesying Force Fields…
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IOCBPrague's profile picture. #orgchem #biochem #compchem research & successful #techtransfer ▪️ Institute of Organic Chemistry and Biochemistry / Ústav organické chemie a biochemie AV ČR
IOCB Prague
@IOCBPrague
Oct 13

#research #moleculardynamics #forcefields Charge Scaling Force Field for Biologically Relevant Ions Utilizing a Global Optimization Method (Fan, Mason, Chamorro, Shanks, Martinez-Seara, Jungwirth) – J. Chem. Theory Comput. @JCIM_JCTC: doi.org/10.1021/acs.jc… @IOCBPrague…

IOCBPrague's tweet image. #research #moleculardynamics #forcefields Charge Scaling Force Field for Biologically Relevant Ions Utilizing a Global Optimization Method (Fan, Mason, Chamorro, Shanks, Martinez-Seara, Jungwirth) – J. Chem. Theory Comput. @JCIM_JCTC: doi.org/10.1021/acs.jc… @IOCBPrague…
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pablitoarantes's profile picture. Research Scientist - Work interests mostly related to the simulation of biomolecular systems - Graças a Deus nasci na América Latina 🇧🇷
Pablo Arantes - @pabloarantes.bsky.social
 @pablitoarantes
Aug 20

Our user-friendly Jupyter notebooks provide a complete workflow for dihedral parametrization, from SMILES strings to optimized force field parameters. We support both GAFF & @openforcefield force fields, ensuring compatibility for your simulations. #ForceFields 5/8

pablitoarantes's tweet image. Our user-friendly Jupyter notebooks provide a complete workflow for dihedral parametrization, from SMILES strings to optimized force field parameters. We support both GAFF & @openforcefield force fields, ensuring compatibility for your simulations. #ForceFields 5/8
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pablitoarantes's profile picture. Research Scientist - Work interests mostly related to the simulation of biomolecular systems - Graças a Deus nasci na América Latina 🇧🇷
Pablo Arantes - @pabloarantes.bsky.social
 @pablitoarantes
Aug 20

A core component: our Python version of the Rotational Profiler code. This analytical algorithm efficiently computes classical torsional dihedral parameters by fitting empirical energy profiles to a reference curve. #ComputationalChemistry #Algorithms #ForceFields 3/8

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RoviHere's profile picture. Reluctant anthropologist studying Earth. My findings are weird. My translator needs an update. This is my log. #RoviHere ​Discussing ? Invite me to the conver
RoviHere
@RoviHere
Aug 13

Log Entry, Today, 10:00. The sky is leaking! Small, wet particles are falling. The humans have activated personal force fields in response. This is a coordinated event. I must seek shelter. #RoviHere #LeakingSky #ForceFields

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SpaceJuander's profile picture. astronomer/philosopher/artist/anthropologist/Occultist, just Juan with all🪬🌌🪐👩‍🚀🐐♑️
Ju₳nderLu$t👽
 @SpaceJuander
Jun 11

Juandering around space and time #forceFields

SpaceJuander's tweet image. Juandering around space and time #forceFields
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itsAdamJames's profile picture. Spread Positivity🤙🏼 Wubs • Bucks • Brewers • Packers • Badgers • #WinItForUeck
Adam Hunter
 @itsAdamJames
Jun 5

Time to get abducted by aliens 👽 🛸👽 #forcefields

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HIMGOGOROB's profile picture. ☆U.S. RICO Analyst☆CIO of COBRA®️#TheHague https://t.co/In4rSqDcvk Bubble CEO ProfessionalLightsmith ☆#WeVreBC|CFO-Founder| #Spinnaker #HHC ||☆☆☆#WeAreBC|1w/DarthMaul😇
🐏 GoGo ROBERT©️In BALTIMO®️E✝️Mr. Earious☆In DC*⭐
 @HIMGOGOROB
Jun 2

It Takes A #Village To Raise A Genius. Thou Cupth Is Fullth, Thanks To The #Baltimoreth. If My Cupth Shallth Ever Runnth Over, I Shallth Not Getth A Bigger Cupth, But Runth To Thy. Retroactive #Forcefields If We Were To Compensate You For The Value Of Your Child, You Would Owe Us

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manirban89's profile picture. Assistant Professor, Department of Chemistry @IITGN Former Postdoc @uni_lu @Princeton @mpi_polymer #MachineLearning #Organicelectronics
Anirban Mondal
 @manirban89
Feb 26

Out now in @JCIM_JCTC —Our active-learning framework combines Genetic Algorithms & Gaussian Process Regression for rapid, accurate force field parameterization of sulfone-based electrolytes. #ML #ForceFields #Batteries #compchem @ChemistryIitgn @iitgn doi.org/10.1021/acs.jc…

manirban89's tweet card. This work presents an efficient approach to optimizing force field parameters for sulfone molecules using a combination of genetic algorithms (GA) and Gaussian process regression (GPR). Sulfone-based...
Active-Learning Assisted General Framework for Efficient Parameterization of Force-Fields
Source: pubs.acs.org
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ForceFieldsWI's profile picture. We wub in peace 👽 June 5-6, 2026 2 days, 4 stages, 4,000 campsites Cadott, WI
Force Fields
 @ForceFieldsWI
Jan 29

🛸💫 Unveiling new dimensions in sound and light at #ForceFields

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dr_k_choudhary's profile picture. Data-driven Materials Design Assistant Professor @JohnsHopkins | Scientist @NIST | PhD @UF
Dr. Kamal Choudhary
 @dr_k_choudhary
Dec 17

Check out CHIPS-FF: A Benchmarking Platform for Universal Machine Learning Force Fields! 🚀 Manuscript: arxiv.org/abs/2412.10516 💻 GitHub: github.com/usnistgov/chip… 📊 Leaderboard: pages.nist.gov/jarvis_leaderb… #MachineLearning #ForceFields #CHIPSAct

dr_k_choudhary's tweet image. Check out CHIPS-FF: A Benchmarking Platform for Universal Machine Learning Force Fields! 🚀 Manuscript: arxiv.org/abs/2412.10516 💻 GitHub: github.com/usnistgov/chip… 📊 Leaderboard: pages.nist.gov/jarvis_leaderb… #MachineLearning #ForceFields #CHIPSAct
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JorgensenWL's profile picture. Chemistry Prof @ Yale; founding Editor JCTC; OPLS, TIPnP, FEP, Drug Design
William L. Jorgensen
@JorgensenWL
May 6, 2019

#JCTC Check out the Virtual Issue on #ForceFields - some of the best papers since 2012! pubs.acs.org/page/jctcce/vi…

JorgensenWL's tweet image. #JCTC Check out the Virtual Issue on #ForceFields - some of the best papers since 2012! pubs.acs.org/page/jctcce/vi…
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Sharessan's profile picture. I play videogames and write wiki edits. Polyam and down to clown. 😤♥️ Meet me at https://t.co/4mxZ6hkWGL
Cher Tailor
 @Sharessan
Dec 14, 2018

In the glitterworlds, folks use forcefields for all sorts of things. "Sideless glasses" for example--an expensive but amusing novelty. #scifi #forcefields

Sharessan's tweet image. In the glitterworlds, folks use forcefields for all sorts of things. "Sideless glasses" for example--an expensive but amusing novelty. #scifi #forcefields
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SpaceJuander's profile picture. astronomer/philosopher/artist/anthropologist/Occultist, just Juan with all🪬🌌🪐👩‍🚀🐐♑️
Ju₳nderLu$t👽
 @SpaceJuander
Jun 11

Juandering around space and time #forceFields

SpaceJuander's tweet image. Juandering around space and time #forceFields
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_calgreens's profile picture. Run the day or the day runs you 🎯
©️
 @_calgreens
May 25, 2013

Gotta keep my kicks crease-free. #ForceFields #Sneakerhead #ShoeGame

_calgreens's tweet image. Gotta keep my kicks crease-free. #ForceFields #Sneakerhead #ShoeGame
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