Tarak Karmakar
@tarakchem
Assistant Professor, Dept of Chem @Chemistry_IITD @IITDelhi | Molecular dynamics, Enhanced sampling & Machine learning | Teaching | Exploring world & life! ๐ฎ๐ณ
ID: 2956833588
https://chemistry.iitd.ac.in/faculty-profile/34 03-01-2015 05:41:11
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Collaborative: Exploring more of Vinyl sulfoxonium ylides Chemistry - electrophilic addition at the ฮฑ-position in multi-component reactions. pubs.rsc.org/en/Content/Artโฆ ....with Prof. Vaitla and team. Royal Society of Chemistry
Published version: A simple Graph Neural Network-based model that can predict solubility in diverse solvents, First โฆJCTC Papersโฉ โฆas PIโฆJCIM & JCTC Journalsโฉ โฆACS Publicationsโฉ, Funding โฆSERBโฉ โฆChemistry_IIT Delhiโฉ IIT Delhiโฉ pubs.acs.org/doi/10.1021/acโฆ
Commendable initiative, Delhi Police ๐๐ซก
sites.google.com/view/sophyc-20โฆ This time in IIT Bombay IIT Bombay Department of Chemistry, IIT Bombay. The second Physical Chemistry Symposium, SoPhyC2024 SoPhyC: Society of Physical Chemistry, India, during October 22-25, 2024. Anindya Datta Rahul Maitra Ruchi Anand @chakrabarti_lab
Congratulations, Soumya (PhD student) on winning a poster award from Wiley Wiley in research @ChemAsianJ at RKMV, Kolkata. Back-to-back poster awards!๐ Very happy for and proud of you. Chemistry_IIT Delhi IIT Delhi Thanks to Uttam Kumar Ghorai for the opportunity!
Published version: Using MD simulations, we studied the effect of metal and molecular cations on the aggregation propensity of precise nanoclusters Vikas Tiwari Nanoscale journal family Royal Society of Chemistry The Royal Society Funding SERB Chemistry_IIT Delhi IIT Delhi pubs.rsc.org/en/Content/Artโฆ
๐ฅณ๐ฅณ๐ฅณAnnouncement #6!!! Along with Florence Tama from Nagoya University we are editing a special issue of Biophysical Society journal Biophysical Journal "Applications of Coarse-grained and Multiscale modeling". Kindly contact for potential submissions and for details. Deets ๐1/n
(Plz RT) JCTC is organizing special virtual issue on "Developments of Theoretical & Computational Chemistry Methods in Asiaโ. Checkout this editorial by QC, Yiqin Gao, Yuki Kurashige & myself to read more about motivation & scope,& submit your articles! pubs.acs.org/doi/10.1021/acโฆ
Published: We have used Constant Chemical MD simulations to study polymorph-specific solubility of a molecular crystal, urea. Congrats Neha Manya Agarwal & Aashutosh. ๐ Funding SERB Chemistry_IIT Delhi IIT Delhi ACS Publications The Journal of Physical Chemistry pubs.acs.org/doi/10.1021/acโฆ
Study of the solvent-dependent crystal shape of theophylline using constant chemical potential molecular dynamics simulations - โฆRoyal Society of Chemistryโฉ โฆPCCPโฉ Nehaโฉ โฆChemistry_IIT Delhiโฉ โฆIIT Delhiโฉ pubs.rsc.org/en/content/artโฆ
