Anmol

Computational Chemistry | Machine Learning | Research Scholar @iitdelhi @CCMB_IITD |

[Tarak Karmakar @TarakChem]

Latest group photo with new faces - PhD: Animesh, and MSc: Nistha & Sachin!
Group website: https://t.co/Z4DlFjGDM9
@CCMB_IITD @Chemistry_iitd @iitdelhi

[Anmol @chemanmol]

🔍 Want to try it yourself?
We’ve open-sourced the full LSH-based pipeline for ML potential training — from SOAP descriptors to dataset reduction.
💻 Check out the code: https://t.co/x2jNZ4rdid

[Anmol @chemanmol]

Excited to share our new work!🚀
We have developed an LSH-based method to reduce datasets for ML potential training by 1–2 orders of magnitude — retaining accuracy & diversity. Applied to chemical reaction & NaCl phase transition.

[Anmol @chemanmol]

With Anuj & @mehtaneha839 🙌
Grateful to @Tarakchem & Profs. Jayadeva & Sandeep!
https://t.co/nZ73blBOS3
@CCMB_IITD @Chemistry_iitd @Chemistry_iitd

[AIMDES_IITD @CCMB_IITD]

@CCMB_IITD squad making memories one dinner at a time!✨

@Chemistry_iitd @iitdelhi

[Tarak Karmakar @TarakChem]

Preprint: How do supramolecular cages en-/de-capsulate a substrate? OPES simulations unveiled the molecular mechanism - it follows partial opening of a subunit akin to enzyme lid-opening!
https://t.co/qH2wds4Bmg
Tanish (MSc) & Anmol (Phd)👏
@CCMB_IITD @Chemistry_iitd @iitdelhi

[Tarak Karmakar @TarakChem]

Keeping up with the trend…
The group looks great in ghibli avatar…😄🤗 @CCMB_IITD

[Anmol @chemanmol]

@Sunita_Mondal77 @angew_chem @ViktoriaGessner @PrakashDuari1 @Arpan1902 Congratulations ✨

[Anmol @chemanmol]

@SharmaaMahendra @iit_tirupati Congratulations sir

[Anmol @chemanmol]

Exploring the potential of Machine Learning in modeling chemical reactions—proud to share my work at #FICS2024, IIT Guwahati! Grateful for the guidance and support of my mentor, Dr. Tarak Karmakar @TarakChem @CCMB_IITD @Chemistry_iitd

[AIMDES_IITD @CCMB_IITD]

"A perfect recipe for the evening: great food, wonderful people, and amazing memories! 🍽️ #CCMBLabDiaries"

[Anmol @chemanmol]

दीपोत्सव की शुभकामनाएँ ✨✨🪔🪔

[AIMDES_IITD @CCMB_IITD]

Wishing everyone a radiant and joyous 🪔Diwali🪔 from the #CCMB_family! May the lights of Diwali illuminate new paths, inspire groundbreaking ideas, and fill our lives with warmth, happiness, and success.
@Chemistry_iitd @iitdelhi

[Anmol @chemanmol]

This acknowledgment will enhance the respect these fields receive from the broader scientific community, giving computational chemistry the recognition it has long deserved. I’m thrilled to be part of this evolving landscape: https://t.co/WvkWrSG4P8

[Anmol @chemanmol]

It’s exciting to see that both the Nobel Prizes in Physics and Chemistry have recognized advancements in machine learning, particularly artificial neural networks, and computational chemistry. (1/2)

[Anmol @chemanmol]

I am happy to share my first paper on the development of a machine-learned potential for the Menshutkin reaction using deep learning. @TarakChem @Chemistry_iitd @CCMB_IITD @iitdelhi

[Tarak Karmakar @TarakChem]

Latest: Enhanced sampling simulations with machine learning potential to study chemical reactions in explicit solvent! Well done, @chemanmol 👏 @CCMB_IITD
@Chemistry_iitd @iitdelhi
@ACSPublications @JPhysChem lett

https://t.co/GoS7cs4dzg

[Anmol @chemanmol]

Hoping for the betterment of research infrastructure a welcoming move!

[MyGovIndia @mygovindia]

𝐓𝐡𝐞 𝐝𝐚𝐰𝐧 𝐨𝐟 𝐚 𝐧𝐞𝐰 𝐞𝐫𝐚 𝐢𝐧 𝐈𝐧𝐝𝐢𝐚𝐧 𝐫𝐞𝐬𝐞𝐚𝐫𝐜𝐡 𝐢𝐬 𝐡𝐞𝐫𝐞 𝐰𝐢𝐭𝐡 𝐭𝐡𝐞 𝐀𝐧𝐮𝐬𝐚𝐧𝐝𝐡𝐚𝐧 𝐍𝐚𝐭𝐢𝐨𝐧𝐚𝐥 𝐑𝐞𝐬𝐞𝐚𝐫𝐜𝐡 𝐅𝐨𝐮𝐧𝐝𝐚𝐭𝐢𝐨𝐧 (𝐀𝐍𝐑𝐅)!

Today, PM @narendramodi leads the Inaugural Governing Board Meeting of the ANRF.

Here are some of the groundbreaking announcements that will revolutionize the research landscape in India.

#ANRF
#NewIndia
#AnusandhanNationalResearchFoundation

[Dhananjay @Dhananjay7645]

Students from @arsdcollegedu visited @iitdelhi. They got a chance to explore @Chemistry_iitd, research labs and instruments. Happy to host you all!
@chemanmol @Ankita_S_ @pabitra2006rta

[Tarak Karmakar @TarakChem]

Three generations! It was wonderful meeting my PhD supervisor Prof. Balasubramanian @jncbala and listening to his amazing talk (ICS-ACC) at @iitdelhi 😊🙏

[राष्ट्रकवि दिनकर @MahakaviDinkar]

स्वर्ग के सम्राट को जाकर ख़बर कर दो,
रोज ही आकाश चढ़ते आ रहे हैं हम..!
#Chandrayaan3

[J Org Chem/Org Lett @JOC_OL]

A new catalytic system using a CuI/N,N-bidentate imine ligand efficiently catalyzes C(sp3)-C(sp) couplings to make internal alkynes, di/tri-substituted allenes, and cyclic lactams. Please see https://t.co/Psy8tNQHO4 by @snswati26 @ruchi989790 @anmoljindal0 @RamuMuntha @TarakChem