Diptendu Roy

@DTUEnergy @DTUtweet Computational Chemistry @BiswarupGroup | PhD👨‍💻| Machine Learning #ML 🚀 | Python 🐍| AI @iitiofficial Alumnus @bhupro RT ≠ endorsement

[Diptendu Roy @diptenduroy_ml]

@DAIEvolutionHub 4.6

[Arup Mahata @arupmahata89]

Happy to share our recent publication in Chemistry of Materials
An accurate and extensive excited-state treatment on the ns2 electrons of zero-dimensional halide perovskites. Congrats @DhritismitaSar1 Thanks @ANRFIndia for funding
@CMAM_IITH @IITHyderabad
https://t.co/oN3zoWOQ4x

[Diptendu Roy @diptenduroy_ml]

@ThePatilGroup @ACSCatalysis @vincent_gandon @AvishekDas01 @Biswajit_B3108 @chm_iiserb @iiserbhopal Congratulations 🎊

[Diptendu Roy @diptenduroy_ml]

@SoumiliRoy19 @DDasLab @ChemicalScience Congratulations 🎊

[Biswarup Pathak Group @BiswarupGroup]

#𝟐𝟕𝐭𝐡 𝐅𝐫��𝐧𝐭 𝐂𝐨𝐯𝐞𝐫 𝐚𝐫𝐭 𝐟𝐫𝐨𝐦 𝐨𝐮𝐫 𝐠𝐫𝐨𝐮𝐩 !!

Our latest #ML work on ML-driven screening of Cu-based dual atom alloy catalysts for the CO2 reduction reaction has been featured in the ACS Materials Letters.
https://t.co/vme83dvmKb
@ACSMatLett @IITIOfficial

[Amitabha Das @amitabha199]

Delighted to share our recent work on #ML based screening of dual atom alloy catalysts for CO2 reduction reaction published in @ACSMatLett
@BiswarupGroup @diptenduroy_ml @mannasouvik96
https://t.co/EGVyNwvj9x

[Biswarup Pathak Group @BiswarupGroup]

Heartiest congratulations to 𝐏𝐫𝐨𝐟. 𝐁𝐢𝐬𝐰𝐚𝐫𝐮𝐩 𝐏𝐚𝐭𝐡𝐚𝐤 sir for being elected as a Fellow of the National Academy of Sciences, India (NASI) 2024! 🎉🎉

Our CMDG family is proud to be part of your inspiring journey! 👏

#NASI #IITIndore

[Department of Chemistry, IIT Indore @ChemistryIITI]

Congratulations to Prof. Biswarup Pathak on being elected as Fellows of the National Academy of Sciences, India (NASI). @b_pathak @DebayanDr

[Machine Learning in Chemistry @ML_Chem]

Conformal Active Learning Aided Screening of Ligand Protected Cu-Nanoclusters for CO2 Reduction Reactions #machinelearning #compchem https://t.co/5OUlqmwKrM

[Pierre-Francois Loos @TitouLoos]

[2408.10059] Orbital Energies Are Chemical Potentials in Ground-State Density Functional Theory and Excited-State $Δ$SCF Theory #compchem https://t.co/VydF95J6Yc

[Pierre-Francois Loos @TitouLoos]

New work with the gang! New ref. data for chromophores + benchmarking of TD-DFT, BSE@GW and WF methods… take home messages: DHs are great, LHs are good, BSE great for singlets but sucks for triplets and CCSD error keeps increasing with system size, hence CC2 is better! #compchem

[Biswarup Pathak Group @BiswarupGroup]

Thank you @ChemMater for sharing.

[Amitabha Das @amitabha199]

Happy to share our recent work on "Machine learning-based screening of Mn-PNP catalysts for the CO2 reduction reaction using a region-wise ligand-encoded feature matrix" - now published in Energy Advances @diptenduroy_ml @SHYAMAMANDAL2 @BiswarupGroup

https://t.co/9QC5fj0q3i

[Diptendu Roy @diptenduroy_ml]

@iiserbhopal @chm_iiserb @AbhilashaBatra @EduMinOfIndia @IndiaDST @serbonline Congratulations

[Diptendu Roy @diptenduroy_ml]

Is anyone going to attend #ACSSpring2024 from India?

[Diptendu Roy @diptenduroy_ml]

@MedbicMatLab @Ritikrishuu @PittTweet @IITIOfficial Congratulations 👏

[Biswarup Pathak Group @BiswarupGroup]

Wrapped up the year 2023 with a wonderful lab picnic today!! 🥳

Students turned chefs👩‍🍳. Shared food, laughter and impromptu moments. #labpicnic

[Sai Zhang @saizhang0]

Someone is running jobs on 128 GPU nodes (~1000 A100) during holidays. Is this a normal PhD life?

[ChemEurJ: Chemistry - A European Journal @ChemEurJ]

Unravelling CO2 Reduction Reaction Intermediates on High Entropy Alloy Catalysts: An Interpretable #MachineLearning Approach To Establish Scaling Relations (Biswarup Pathak and co-workers) @BiswarupGroup, @b_pathak, @diptenduroy_ml https://t.co/mAJpb2B4bP