Explore tweets tagged as #atomisticSimulations
@JCIM_JCTC
JCIM & JCTC Journals
@JCIM_JCTC
4 years
Effect of #Cysteine Oxidation in #SARSCoV2 Receptor-Binding Domain on Its Interaction with Two Cell Receptors: Insights from #AtomisticSimulations #molecularsimulations . .#current_issue #compchem
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@IJMS_MDPI
IJMS MDPI
@IJMS_MDPI
7 years
#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
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@wpi_mana
ナノアーキテクトニクス材料研究センター（MANA）
@wpi_mana
3 years
Satoshi Watanabe, Professor at The University of Tokyo will give a speech on Dec, 8 (WPI-MANA International Symposium 2022). See more detail ⬇️. #symposium #internationalsymposium #WPI_MANA #materialsscience #nanotechnology #atomisticsimulations
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@wpi_mana
ナノアーキテクトニクス材料研究センター（MANA）
@wpi_mana
3 years
【News】.The "WPI-MANA International Symposium 2022" will be held hybrid from 8 to 9 Dec 2022 （Onsite venue Auditorium, WPI-MANA Bldg., NIMS).Please see the website to know more information, including registration.➡️#symposioum
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@Innov_Materials
The Innovation Materials
@Innov_Materials
3 years
Chem. Rev. Improving the Accuracy of #AtomisticSimulations of the #Electrochemical #Interface. @ACSChemRev #EnhancedSampling #MolecularDynamics #compchem.
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@vlruso
Vlad Ruso PhD
@vlruso
4 months
TorchSim: Revolutionizing Atomistic Simulations with PyTorch for the MLIP Era. #TorchSim #AtomisticSimulations #PyTorch #AIResearch #MaterialsScience.
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@sollebac
Jose Luis Cabellos
@sollebac
10 years
http://t.co/2TGWSFPrn6.A Practical Guide.
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@MillionAtomMan
David Bowler
@MillionAtomMan
10 years
I’m starting a new series of blog posts: a basic tutorial in DFT & atomistic simulations #CompChem #PHAS3226 http://t.co/SplLtLkBPM.
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@JustOpenSourced
Just Open Sourced
@JustOpenSourced
9 years
davidbowler just open sourced a repository:
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@MillionAtomMan
David Bowler
@MillionAtomMan
10 years
I’ve just added hypothes.is annotations to my blog ( - it’s very easy
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@UkNeutron
UK Neutron Scattering Group
@UkNeutron
3 years
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 .
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@MillionAtomMan
David Bowler
@MillionAtomMan
10 years
A new tutorial blog post on pseudopotentials #CompChem #ACSBook
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@MillionAtomMan
David Bowler
@MillionAtomMan
10 years
New blog post: a little more on background theory for DFT #CompChem
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@biorxiv_biophys
bioRxiv Biophysics
@biorxiv_biophys
2 years
Viscosity Prediction of High-ConcentrationAntibody Solutions with AtomisticSimulations #biorxiv_biophys.
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@uniallianz
Universitätsallianz
@uniallianz
2 years
Ausschreibung der #ResearchAllianceRuhr: Research Center Chemical Science and Sustainability sucht #ResearchAssociates (m,f,x) für 2 Jahre, Vollzeit, TV-L E13. Mehr Details hier👉#AtomisticSimulations #TheoreticalChemistry #Spitzenforschung @uniallianz
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@MillionAtomMan
David Bowler
@MillionAtomMan
9 years
A new blog post ! Commenting on recent Science paper which compared reliability of DFT codes #CompChem #ACSBook
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@Psik_Network
Psi-k
@Psik_Network
5 years
There is an immediate opening for a postdoctoral positions in the Materials Research Centre at Indian Institute of Science, Bangalore. The position is on the study of defects in compound #semiconductors. #QuantumPhysics #AtomisticSimulations
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@MillionAtomMan
David Bowler
@MillionAtomMan
10 years
A brief update on my blog: more entries to follow soon http://t.co/rCGSDL2Tmq.
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@MillionAtomMan
David Bowler
@MillionAtomMan
9 years
Blog post from last year: two common basis sets used in DFT #CompChem
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@MillionAtomMan
David Bowler
@MillionAtomMan
10 years
A new blog post, covering an efficient approach to ab initio thermodynamics #CompChem
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@SharmaMaitreyee
Maitreyee Sharma
@SharmaMaitreyee
2 years
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.
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