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Congratulations to Q-Chem developers Nicole Bellonzi, Ethan Alguire, Shervin Fatehi, Yihan Shao and Joseph Subotnik on their recent publication! https://tinyurl.com/qn2sk38
#compchem pic.twitter.com/Hbg76tRDb1
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2018 Schrödinger medalist Klaus Ruedenberg will be giving a plenary talk at
#WATOC2020. Early registration fees in effect until May 1, 2020. Register at http://watoc2020.ca/registration#compchem#chemtwitter -
#compchem Embedding Methods for Quantum Chemistry: Applications from Materials to Life Sciences https://pubs.acs.org/doi/10.1021/jacs.9b10780?utm_source=SendGrid_ealert&utm_medium=ealert&utm_campaign=JAM_jacsat&ref=SendGrid_ealert_JAM_jacsat#.XjhcerWOgnc.twitter … -
This is a very important ask which I hope will be addressed by all publishing companies
#AcademicTwitter#CompChem#CoronavirusOutbreak#Sciencehttps://twitter.com/antonioregalado/status/1224369938623803392 … -
New PhD Fellowship available in our group
@MaserasGroup !

#mazinchemz#compchem https://twitter.com/ICIQchem/status/1222889870173122561 …
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End of my 1st day
@UNamur !#postdoc#compchem pic.twitter.com/nlQy5e5hWB
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I'm the Editor of a
#CompChem journal and didn't realize it until this
tweet https://twitter.com/Julia_E_Meyer/status/1223377655271239680 … -
I just appreciated my laptop for its three years of service by giving it a new battery! I need to replace mine too!
#AcademicChatter#compchem pic.twitter.com/xUYF0jSe49
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Using stochastic orbitals to evaluate exchange, in the context of linear response TDDFT
#CompChem https://pubs.acs.org/doi/10.1021/acs.jctc.9b01121 … -
Computational Chemistry/Machine Learning/AI Scientist Dundee, UK https://www.jobs.ac.uk/job/BYH982/computational-chemistry-machine-learning-ai-scientist …
#compchem -
[2001.11832] A basis-set error correction based on density-functional theory for strongly correlated molecular systems
#compchem https://arxiv.org/abs/2001.11832 -
We are proud to announce that ioChem-BD is now Open Source
#opensource#openscience#opendata#compchem#chemistry#sciencepic.twitter.com/PFCjqwCXhn
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Useful hints and points!
#compchem https://twitter.com/janhjensen/status/1223929598146154496 … -
Protein conformational changes cause deformations in the membrane. Now imagine if we were simulating the whole cell membrane: one protein changes the membrane, that in turn changes other proteins... I hope MD simulations get there someday.
#compchem https://elifesciences.org/articles/50576 -
Francesco gave a great talk about our work using many-body models for vibrational spectroscopy at the Pacific Conference on Spectroscopy and Dynamics today!
#compchem@UCSDPhySci@UCSDChemBiochempic.twitter.com/FCJivMenaS
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Hey twitter ! It's my great pleasure to annouce that my first first author paper has been accepted and is finally available
!
If interested in Computational NMR of polysaccharides-lipids complexes, here is the link :
https://doi.org/10.1016/j.carbpol.2020.115846 …
#compchem#NMR -
Celebrating the move to new lab space tonight:)
#compchem https://twitter.com/atuerkova/status/1223250111989518338 …
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Very proud for my latest
#compchem study in@NatureComms! Modelling a charge-transfer quenching mechanism in higher plants http://bit.ly/CTquench#openaccess with@MolecolabPisapic.twitter.com/nWQ4zugQYm
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Learn more about how Schrödinger’s WaterMap and
#MolecularDynamics tools are providing valuable insight into how disrupting water paths through enzyme active sites can impact inhibitor potency in this recent publication: http://ow.ly/p6cn50y6m83#CompChem pic.twitter.com/ERB3mGlUEA
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Congratulations to the Mark Thompson research group on their recent publication! https://tinyurl.com/vx5fy2o
#compchem pic.twitter.com/rMGMaNKexx
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ICIQ PhD Fellowship Programme 1st call is OPEN!
10
Deadline: Mar 01, 2020
Info: