Top Tweets for #AtomisticSimulations
https://t.co/w5w67onBNX
🚀 Have you ever tried the open-source SIESTA code?
The SIMUNE team has prepared static binaries for SIESTA for LINUX, MacOS, and Windows.
Free versions can be downloaded here: https://t.co/mULeKDRodZ 🌐🔬
#AtomisticSimulations #SIESTA #OpenSource #SIMUNE
I will be presenting at #AIChE2023's Meet the Faculty Candidates poster session.
Join me at Poster #115 to hear about my research vision - Physics-Informed Discovery of "Outside-the-box" Materials. @ChEnected
#LLMs #MachineLearning #AtomisticSimulations
Correlation analysis applied to #AtomisticSimulations on Ras protein isoforms in apo vs. bound states unveils a fascinating combinatorial variability of #kinetics and #thermodynamics taking center stage in decoding protein function and allostery. https://t.co/QNZH18DIKu
Ausschreibung der #ResearchAllianceRuhr: Research Center Chemical Science and Sustainability sucht #ResearchAssociates (m,f,x) für 2 Jahre, Vollzeit, TV-L E13. Mehr Details hier👉https://t.co/fb7YFzTEZB #AtomisticSimulations #TheoreticalChemistry #Spitzenforschung @uniallianz
Satoshi Watanabe, Professor at The University of Tokyo will give a speech on Dec, 8 (WPI-MANA International Symposium 2022).
See more detail ⬇️
https://t.co/l6YUqDLPbY
#symposium #internationalsymposium #WPI_MANA #materialsscience #nanotechnology #atomisticsimulations
【News】
The "WPI-MANA International Symposium 2022" will be held hybrid from 8 to 9 Dec 2022 （Onsite venue Auditorium, WPI-MANA Bldg., NIMS)
https://t.co/Mftf592IDt
Please see the website to know more information, including registration
➡️https://t.co/nHkol2OCNk
#symposioum
Welcome to Leonardo, the latest (supercomputing)member of the @Cineca1969 family! 👩💻🤖👨💻
#atomisticsimulations @IITalk
I nostri panelist, moderati da @barbaracarfagna, parlano del presente e del futuro dei supercomputer e del #QuantumComputing
Today was the last day of #MDANSE2022. Participants received hands-on training on #neutronDataAnalysis using #atomisticSimulations & #virtualExperiments. This school was supported by @UkNeutron @isisneutronmuon @ILLGrenoble @essneutron & @IOP .
Chem. Rev.
Improving the Accuracy of #AtomisticSimulations of the #Electrochemical #Interface
@ACSChemRev #EnhancedSampling #MolecularDynamics #compchem
https://t.co/cgn8GsSunm
It's been great hear about our Working Groups' activities - from #industry outreach, to developments in #moderator & #detector technologies and high-field & high-pressure #SampleEnvironments.
After a short break, we continue with talks on #DataAnalysis & #AtomisticSimulations!
We used #isothermaltitrationcalorimetry and #atomisticsimulations to probe polymer–metal–water interactions in rare-earth element chelation. Varying polymer hydrophobicity produced large changes in heat capacity, driven by changes in desolvation.
Effect of #Cysteine Oxidation in #SARSCoV2 Receptor-Binding Domain on Its Interaction with Two Cell Receptors: Insights from #AtomisticSimulations #molecularsimulations
https://t.co/ic7GDHYQYk
#current_issue #compchem
The article was published in @angew_chem and now is featured in @ChemistryWorld! The question is: how a boron-based molecule without the typical hydrophilic head and hydrophobic tail can behave like a surfactant? @Jordi_Faraudo #AtomisticSimulations
Chemistry World features an article about the amphiphilic behavior of carboranes https://t.co/3ASzhOGr4f
#mdpiijms, Special Issue "Understanding the #Nanoparticle-#Biomolecule Interactions: Insight form #Computational #modelling and #AtomisticSimulations" is open for #submissions , guest edited by Prof. Maria Cristina Menziani. Welcome to participate via https://t.co/jS4WKwta0U
last issue of @ChemMater; cover from our last paper. #nanoceria #catalysis #atomisticsimulations https://t.co/G6Tm1gmC8h
Issue 20 is now available online! Cover: Catalytic activity map for nanoceria. Dean Sayle et al. @UniKentSPS https://t.co/ld1JsIKXNi
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