Debashree Ghosh Lab @IACS
@QCLlab
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Theoretical chemistry lab @iacskolkata aims to understand excited state processes in condensed phases. We develop electronic structure methods using ML and MPS.
Kolkata
Joined March 2023
🚨Paper alert: First one for 2025. Machine learning methods for structure prediction. Congrats to @_arpan_Choudhry and @GhoshDebashree1 . #compchem #machinelearning #jcomputchem Check out:
Our new method paper is out now (Journal of Computational Chemistry): Hybrid Machine Learning Method for Molecular Conformer Structures Prediction from an Ensemble Average Property @GhoshDebashree1
#compchem #MachineLearning #jcomputchem
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Successful defense, enjoyment and celebrations! 🎊 Congrats to Dr. @_arpan_Choudhry on completing his PhD with @GhoshDebashree1. 👨🎓 We wish him the best for the future.
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A wonderful start to the new year 2025 and another moment of pride for the group! ✨ @GhoshDebashree1 gets the Pople medal from APATCC. Congratulations! @iacskolkata #compchem
The new year starts with the news of the Pople medal 2025 being announced in the APATCC website. http://129.226.162.82/news.html . Incredibly honored. All thanks to the hard work by the students @QCLlab . @iacskolkata @IndiaDST
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@SUPRIYOSANTRA16 from our lab presented on singlet fission, in the international conference Molecular electronic structure (MES2024) in Italy. Well done Supriyo! #compchem #MES2024
A memorable trip to Italy. First experience as a speaker in the international conference #MES2024. Great discussion,science and wonderful venue. Grateful for the support from @GhoshDebashree1 and @QCLlab. @serbonline for funding.
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What role does the protein play in dictating the mode of isomerization in Phytochrome? Find out more in our latest work Congratulations to @mepradiptadey @SUPRIYOSANTRA16 and @GhoshDebashree1. @PCCP @RoySocChem
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A worksop organised by @cdacindia for ML-enthusiast, interested in developing faster algorithms for expensive quantum chemistry calculation . @GhoshDebashree1 will deliver a talk and a hands-on session by @koushikseth29. More information :
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Congrats to all the new graduates from the @QCLlab. 👨🎓👨🎓👨🎓👩🎓 From left to right : @i_am_SumantaKG (PhD), @koushikseth29 (PhD), the happy supervisor @GhoshDebashree1, Adithya Krishnan P (BS-MS) and Ananya (MS). @iacskolkata Best wishes to all.
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Heartiest congratulations to @koushikseth29 as he completes his PhD with @GhoshDebashree1 . We wish him a bright future ahead. 👨🎓🎉
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Kudos to @SUPRIYOSANTRA16 , Rabindranath Manna, @namusite, @GhoshDebashree1 for this wonderful work on phytochrome spectra. @JPhysChem B #compchem #qmmm.
It is not always electrostatics that changes the spectra in protein upon mutation, there can be a conformational effect as well. We explore that in our latest work for phytochrome. Great to work with Rabi-da, @namusite and as always @GhoshDebashree1 .
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Interested in the excited states or excited about the latest developments in machine learning and quantum computing !!! Join us to explore. Research details: Application details :
We have PhD positions open in our group. Students interested in computational chemistry, quantum chemistry, electronic structure theory, machine learning, and quantum computing can apply. #compchem
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Congrats to @_arpan_Choudhry. His latest work "Structure Prediction from Spectra amidst Dynamical Heterogeneity in Melanin" in collab with @raghurama123 featured on the cover of @ChemCommun. @GhoshDebashree1
#MachineLearning #compchem.
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🚨We are hiring... Find more details about our work here :
Two PhD positions are open in group. Those with CSIR/UGC-NET qualification and interested in computational chemistry, machine learning, and quantum computing can apply. #compchem #MachineLearning
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Congratulations to the geeky grads 👩🎓👨🎓👨🎓 🎉 From left to right : Bishnu Prasad Rakshit(BS-MS),@rano_madhumita (PhD), the proud supervisor @GhoshDebashree1 and Atreyo Palit (MS).
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A proud moment for the group 🎉. Congratulations to @GhoshDebashree1
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🚨Paper Alert🚨 This article by @rano_madhumita and @GhoshDebashree1 has been published in @JPhysChem A. The authors have shown robustness of different MLCI models and applicability in bond-breaking problems. #MachineLearning
#compchem Check it here,
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We are hiring two Ph.D. students having valid NET/GATE/INSPIRE from both CHEMISTRY and PHYSICS backgrounds. Visit our website for research activities: More details: Feel free to contact @GhoshDebashree1 via email.
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