Debdas Dhabal @dhabaldebdas Twitter profile

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Debdas Dhabal

2 years

Little fun with umbrella sampling!😋Biasing water molecules (Indirect Umbrella Sampling, INDUS) to write a name in the simulation box.

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Debdas Dhabal

@dhabaldebdas

9 months

Thrilled to announce that I've joined the incredible team of the Department of Chemistry at @IITGuwahati as an Assist. Prof. My journey begins here, where I'll be establishing my own research lab dedicated to Computer-Aided Molecular Design of Advanced Functional Materials. 💻🧪

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Debdas Dhabal

@dhabaldebdas

2 years

Our collaborative machine learning work on material classification is in arxiv: CEGAN: Crystal Edge Graph Attention Network for multiscale classification of materials environment

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Debdas Dhabal

@dhabaldebdas

1 year

Our collaborative work on classification of materials in static as well as dynamic environment using Crystal Edge Graph Attention Neural Network (CEGANN) is now online! Congratulations Suvo! @SuvoBanik5 @Nature_NPJ #MachineLearning #compchem #materials

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Debdas Dhabal

@dhabaldebdas

1 year

Our new preprint on polyamorphic transformation in water glasses! #compchem #amorphousice Kinetics and Mechanisms of Pressure-induced Ice Amorphization and Polyamorphic Transitions in a Machine-learned Coarse-Grained Water Model | ChemRxiv

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Debdas Dhabal

@dhabaldebdas

9 months

We are seeking motivated students, who have cleared CSIR-UGC-NET/DST-INSPIRE-JRF, for our newly established computational material science and biomaterials group @IITGChem . Shoot an email to ddhabal @iitg .ac.in with your CV & complete the appl. on by Oct. 5

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Debdas Dhabal

@dhabaldebdas

2 years

Delighted to receive the “Distinction in Ph.D. research” award from IIT Delhi! Heartfelt gratitude to my Ph.D. advisors, Late Prof. Charusita Chakravarty, Dr. Hemant K. Kashyap, and Prof. Ramakrishna Ramaswamy. Thanks to the reviewers, the Dept of Chem & the Director of IIT Delhi

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Debdas Dhabal

@dhabaldebdas

2 years

Here it is!! We demonstrate that ML-BOP, a machine-learned coarse-grained water model has accuracy comparable to TIP4P/2005 and TIP4P/Ice, in reproducing both water and ice-water thermodynamics. #compchem #MachineLearning @UtahChemistry

Stability and Metastability of Liquid Water in a Machine-Learned Coarse-Grained Model with Short-...

Coarse-grained water models are ∼100 times more efficient than all-atom models, enabling simulations of supercooled water and crystallization. The machine-learned monatomic model ML-BOP reproduces...

pubs.acs.org

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Debdas Dhabal

@dhabaldebdas

2 years

Glad to see that my postdoc advisor Prof. Valeria Molinero has been awarded Irving Langmuir Award in chemical physics, 2023. Many congratulations Vale!

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Debdas Dhabal

@dhabaldebdas

2 years

I am thrilled to share our recent #compchem work just published in @angew_chem @UUtah @UtahChemistry What is the Smallest Zeolite that Could be Synthesized?

What Is the Smallest Zeolite That Could Be Synthesized?**

Thermodynamic analysis and molecular simulations indicate that zeolites as small as 4 nm can be obtained by hydrothermal synthesis. Compact size-dependent isomers outcompete zeolites at smaller sizes

onlinelibrary.wiley.com

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Debdas Dhabal

@dhabaldebdas

10 months

Excited to share our latest research on liquid-liquid phase separation in water at the Gordon Research Conference (GRC) on Chemistry and Physics of Liquids! Such an incredible experience with amazing talks, both experimental and simulation-based. #GRC #CompChem

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Debdas Dhabal

@dhabaldebdas

11 months

Glad to be a part of this exciting article! #compchem #MachineLearning #silica #ffdevelopment @Nature_NPJ

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Debdas Dhabal

@dhabaldebdas

9 months

Interested candidates can apply for an Institute Post-Doctoral Fellowship (IPDF) for the year 2023-24 at @IITGuwahati Please click on the link to access additional information

Indian Institute of Technology Guwahati

Official Twitter account of Indian Institute of Technolgy Guwahati, India

www.iitg.ac.in

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Debdas Dhabal

@dhabaldebdas

8 months

Ph.D. Positions are available in our group. Please apply by 30th October for December session.

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Debdas Dhabal

@dhabaldebdas

1 year

Excited to share that it is now published as part of The JPC special issue “Pablo G. Debenedetti Festschrift” #compchem #amorphousice #watermodel #MachineLearning

Kinetics and Mechanisms of Pressure-Induced Ice Amorphization and Polyamorphic Transitions in a...

Water glasses have attracted considerable attention due to their potential connection to a liquid–liquid transition in supercooled water. Here we use molecular simulations to investigate the format...

pubs.acs.org

Debdas Dhabal

@dhabaldebdas

1 year

Our new preprint on polyamorphic transformation in water glasses! #compchem #amorphousice Kinetics and Mechanisms of Pressure-induced Ice Amorphization and Polyamorphic Transitions in a Machine-learned Coarse-Grained Water Model | ChemRxiv

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Debdas Dhabal

@dhabaldebdas

2 years

Glad to join the Editorial Board of Frontiers in Chemistry @FrontiersIn as a review editor in the "Theoretical and Computational Chemistry" section. #research #journals #chemistry For details, see

Frontiers in Chemistry

Advances our understanding of how atoms, ions, and molecules come together and come apart. It explores the role of chemistry in our everyday lives - from electronic devices to health and wellbeing.

www.frontiersin.org

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Debdas Dhabal

@dhabaldebdas

2 years

Back to a topic close to my heart, "water and ice" What can a monatomic water model do and not do? #compchem #MachineLearning in ChemRxiv Stability & Metastability of Liquid water in a Machine-learned Coarse-grained Model with Short-range Interactions

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Debdas Dhabal

@dhabaldebdas

2 years

Our published #compchem article with @andressaab on @angew_chem is considered as “Hot Paper”. Check out the final version of the paper on the given link.

Angewandte Chemie

@angew_chem

2 years

What Is the Smallest Zeolite That Could Be Synthesized? (Molinero) @uofu_science

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Debdas Dhabal

@dhabaldebdas

2 years

I will be presenting this Friday at the STMS on our very recent work on zeolites.

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Debdas Dhabal

@dhabaldebdas

2 years

It was a privilege to chair this exciting session on machine learning at the MRS2022 #mrs2022

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Debdas Dhabal

@dhabaldebdas

2 years

We have used molecular simulation and theory in conjunction with experimental data to find out the size limits of the smallest zeolite crystals.

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Debdas Dhabal

@dhabaldebdas

1 year

Congratulations Vale! @uofu_science @UtahChemistry

The Journal of Chemical Physics

@JChemPhys

1 year

We're delighted to celebrate Valeria Molinero, recipient of the Langmuir Award, sponsored by JCP, at the #apsmarch award ceremony! @TimLian5

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Debdas Dhabal

@dhabaldebdas

2 years

Proud moment!! 👏👏

Utah Chemistry

@UtahChemistry

2 years

Dr. Valeria Molinero was elected to the @theNASciences ! Election as a member is one of the highest honors a scientist can receive. Congratulations! Read press release here: #chemistry #uofuchemistry #utah #universityofutah #uofu #undergrad #graduate

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Debdas Dhabal

@dhabaldebdas

2 years

Anyone attending Material Research Society (MRS) spring meeting this year? Would love to connect in person. Thanks!

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Debdas Dhabal

@dhabaldebdas

1 year

@AcevedoResearch @TEAS_Actinides Congrats to the team!

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Debdas Dhabal

@dhabaldebdas

2 years

@NealMankad @SoumenSinha87 @J_A_C_S Congratulations Soumen Da!

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Debdas Dhabal

@dhabaldebdas

2 years

News highlight 2: U chemists find size limits of the smallest zeolite crystals

U chemists find size limits of the smallest zeolite crystals

For zeolites, a class of minerals used in industrial and chemical processes, smaller may be better. Synthesizing small zeolites only a few nanometers across could make them more effective and...

www.eurekalert.org

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Debdas Dhabal

@dhabaldebdas

1 year

@UH_RimerGroup @J_A_C_S @doescience @UH_ChBE Congratulations to the group!

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Debdas Dhabal

@dhabaldebdas

2 years

Our recent article on nanozeolite is highlighted on ChemistryViews

Synthesizing the Smallest Possible Zeolite - ChemistryViews

Simulation and thermodynamic analysis used to explore size limits

www.chemistryviews.org

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Debdas Dhabal

@dhabaldebdas

2 years

@michaelmastale4 @FlorentLouis59 Congratulations! Just curious, what software did you use to make this gif? Thanks.

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Debdas Dhabal

@dhabaldebdas

9 months

@tarak_patra Congratulations Dada!

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Debdas Dhabal

@dhabaldebdas

2 years

@SamratLabMohali Maybe not fully, in the simulation model development community. Because this masterpiece has given the first water model for simulations.

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Debdas Dhabal

@dhabaldebdas

2 years

@KRITIALAM3 Thanks Kriti Bhai 😊

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Debdas Dhabal

@dhabaldebdas

2 years

Congratulations @SigbjornBore

Paesani Lab

@PaesaniLab

2 years

Food for thought...🤔 In our first foray into #neuralnetworks , we were interested in accelerating 🚀 #water simulations using #DeePMD trained on #MBpol . We found that #DeePMD reproduces #MBpol in the bulk but not at the vapor/liquid interface. 👉 1/5

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Debdas Dhabal

@dhabaldebdas

2 years

@kshatresh You mean experimental collaborations suffer with the same bias? 🤔

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Debdas Dhabal

@dhabaldebdas

8 months

@uttam_manna @serbonline @IITGuwahati @PrinSciAdvGoI Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@BiswarupGroup @sandeep_sands @IITIOfficial @b_pathak @SuryaManna9 @ACSPublications @ACS_AMI Congratulations!!

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Debdas Dhabal

@dhabaldebdas

1 year

@gardasr @ACSPublications @AmerChemSociety @RoySocChem @ElsevierConnect @ELSchemistry @wileyinresearch @Wiley_Chemistry @SpringerNature @tandfonline @MDPIOpenAccess @PLOS @IEEEorg @iitmadras @Hindawi @thiemechemistry @GoogleForEdu Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@SamratLabMohali @NatureComms @Aishwarya788 @aroralisha20 @Sandeep61011718 @AnamikaAvni @DBS_IISERM @IiserMohali Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@SamratLabMohali @J_A_C_S @DebapriyaIISERM @aroralisha20 @IiserMohali Congratulations Prof. Mukhopadhyay

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Debdas Dhabal

@dhabaldebdas

2 years

@robertowexler Agree with you! Yes, the INDUS code for simple probe volumes is available as a part of PLUMED from Patelgroup’s (my previous postdoc supervisor) website Thank you!

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Debdas Dhabal

@dhabaldebdas

2 years

@Jmondal_tifrh @PalashB30968531 @SerpentByte Many congratulations!!

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Debdas Dhabal

@dhabaldebdas

2 years

@kshatresh @ShivNadarUniv @ShakirAliSiddi4 @SanjeevSaGa Congratulations to you all!!

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Debdas Dhabal

@dhabaldebdas

1 year

@SenSobhan @sardana_deepika @speclabjnu Congratulations!

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Debdas Dhabal

@dhabaldebdas

1 year

@BiswarupGroup @nanoscale_rsc @IITIOfficial @SnehaMi56251425 @b_pathak @RoySocChem Congratulations!

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Debdas Dhabal

@dhabaldebdas

9 months

@Jmondal_tifrh Totally agree 💯

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Debdas Dhabal

@dhabaldebdas

2 years

Happy to share our recent work! Unstable and Metastable Mesophases Can Assist in the Nucleation of Porous Crystals

Unstable and Metastable Mesophases Can Assist in the Nucleation of Porous Crystals

Porous crystals─including zeolites, metal–organic frameworks, and clathrates─are widely used as catalysts and molecular sieves and in energy applications. These materials are synthesized from...

pubs.acs.org

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Debdas Dhabal

@dhabaldebdas

2 years

@Chakrabarti_Lab @nanavare_pooja @SohamSa63849499 @ASHACHOUDHURY1 @atanuchem48 Congratulations to all!

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Debdas Dhabal

@dhabaldebdas

1 year

@bagchilab @JChemPhys @csir_ncl @serbonline @Srijan_chatt @Tubai_Chowdhuri @sayanbagchi Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@soumenchem1 @UoA_Official Looking nice Prof. Sahab!

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Debdas Dhabal

@dhabaldebdas

2 years

@abhinawkumar21 @andressaab Thanks Abhinaw. You did great work on zeolites that helped us a lot. I was there in Vale's talk. It was awesome!!

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Debdas Dhabal

@dhabaldebdas

10 months

@SharanNembenna Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@AcevedoResearch Congratulations to the team!

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Debdas Dhabal

@dhabaldebdas

7 months

@UH_RimerGroup Congratulations 👏

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Debdas Dhabal

@dhabaldebdas

2 years

@ASHACHOUDHURY1 @FrontiersIn Thanks!!

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Debdas Dhabal

@dhabaldebdas

11 months

@AcevedoResearch @JPhysChem Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@Chakrabarti_Lab @ASHACHOUDHURY1 @atanuchem48 Congratulations!!

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Debdas Dhabal

@dhabaldebdas

1 year

@BiswarupGroup @IITIOfficial @b_pathak @diptenduroy_ml Wow! Congratulations!

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Debdas Dhabal

@dhabaldebdas

9 months

@BanerjeeShivali @IITGuwahati Thank you Shivali!

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Debdas Dhabal

@dhabaldebdas

2 years

@SigbjornBore @JCIM_JCTC @ACSCOMP @EtBuVu Congratulations Sigbjorn!

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Debdas Dhabal

@dhabaldebdas

2 years

@dhiraj_d_bhatia @Sgbiolab @HivarePravin @nanoscale_rsc @BiologicalEngi1 Congratulations!

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Debdas Dhabal

@dhabaldebdas

9 months

@BiswarupGroup @digital_rsc @serb @CSIR_IND @IITIOfficial @b_pathak Congratulations!

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Debdas Dhabal

@dhabaldebdas

10 months

@SharmaaMahendra @ChemistryNews @phosphorchem @angew_chem @unidue @cenide_unidue Congratulations 👏

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Debdas Dhabal

@dhabaldebdas

2 years

@GroupTuckerman Congratulations!!

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Debdas Dhabal

@dhabaldebdas

2 years

@Shan_Mr_D @angew_chem @UUtah @UtahChemistry Thank you! The model is suitable for zeolites other than we discussed in this work. By tuning the size and composition of the SDA one can form different zeolite crystals using the same model.

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Debdas Dhabal

@dhabaldebdas

1 year

@PaesaniLab @JCIM_JCTC @UCSanDiego @UCSDPhySci @UCSDChemBiochem @HDSIUCSD @SDSC_UCSD @AFOSR @NSF @DoD_HPCMP @ACCESSforCI @ChemPhys55 Congratulations!!

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Debdas Dhabal

@dhabaldebdas

10 months

@__atreyee__ @AthiNaganathan @mpi_polymer @MPDL Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@kshatresh @GouriprasannaR Congratulations!!

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Debdas Dhabal

@dhabaldebdas

2 years

@gardasr Congratulations!!

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Debdas Dhabal

@dhabaldebdas

2 years

@limmerlab @UCB_Chemistry Congratulations!!

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Debdas Dhabal

@dhabaldebdas

2 years

@Chakrabarti_Lab @softmatter Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@jncbala @nimishdwar Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@kshatresh Yes, you are right! I think it depends on integrity, If someone wants to remove the biasness they will do it anyway.

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Debdas Dhabal

@dhabaldebdas

10 months

@manabsarma @NarwanShubham @HaobamKisan @unihimangshu Congratulations!

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Debdas Dhabal

@dhabaldebdas

2 years

@abhikgmoulick @FrontiersIn Thank you!

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Debdas Dhabal

@dhabaldebdas

2 years

@abhikgmoulick @UtahChemistry Thanks Bhai!

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Debdas Dhabal

@dhabaldebdas

8 months

@Jmondal_tifrh @J_A_C_S Congratulations Jagannath Da!!

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Debdas Dhabal

@dhabaldebdas

2 years

@BiswarupGroup @JPhysChem @IITIOfficial @b_pathak @SHYAMAMANDAL2 @diptenduroy_ml @ACSPublications @serbonline Congratulations to the group!!

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Debdas Dhabal

@dhabaldebdas

2 years

@KRITIALAM3 @iitjodhpur Nice!

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Debdas Dhabal

@dhabaldebdas

1 year

@kshatresh @J_A_C_S @openscience @DBTIndia @alzassociation Congratulations 🎉👏

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Debdas Dhabal

@dhabaldebdas

2 years

@BiswarupGroup @JPhysChem @b_pathak @SuryaManna9 @IITIOfficial @serbonline @ACSPublications @ACS_Research Congratulations to the team!!

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Debdas Dhabal

@dhabaldebdas

2 years

@KRITIALAM3 @FrontiersIn Thanks Bhai!

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Debdas Dhabal

@dhabaldebdas

2 years

@kshatresh @JPhysChem @DBTIndia @SanjeevSaGa @ShivNadarUniv Congratulations!

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Debdas Dhabal

@dhabaldebdas

9 months

@anunesalves @IITGuwahati Thank you!

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Debdas Dhabal

@dhabaldebdas

2 years

@BiswarupGroup @JPhysChem @IITIOfficial @b_pathak @SHYAMAMANDAL2 @diptenduroy_ml @ACSPublications @ACS_Research Congratulations!!

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Debdas Dhabal

@dhabaldebdas

1 year

@SigbjornBore Will meet soon then!

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Debdas Dhabal

@dhabaldebdas

2 years

@kmnitesh05 @chemnetworks Nice meeting you guys!!

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Debdas Dhabal

@dhabaldebdas

8 months

@SrabaniTaraphd1 Many Congratulations!

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Debdas Dhabal

@dhabaldebdas

9 months

@Sameerchm @IITGuwahati Thank you!

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Debdas Dhabal

@dhabaldebdas

1 year

@KRITIALAM3 Thanks kriti for your warm hospitality! 😊😊

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Debdas Dhabal

@dhabaldebdas

9 months

@scribesoldier @IITGuwahati Thank you Mayank!

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Debdas Dhabal

@dhabaldebdas

11 months

@kshatresh This quote by George Box stands as a significant reminder: “All models are wrong, some are useful.” Personally, I find this assertion to hold true.

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Debdas Dhabal

@dhabaldebdas

1 year

@tgartner_3 Congratulations! Read the paper yesterday! Nice work!

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Debdas Dhabal

@dhabaldebdas

2 years

@namusite Really interesting! Will listen the talk on YouTube!