Rajdeep Sarma

living and learning life through music, molecules and the mind

[Olexandr Isayev 🇺🇦🇺🇸 @olexandr]

Great @CMU_Chem collaboration! Proton-coupled electron transfer (PCET) mediated by hydroquinone and related molecules is key to natural and artificial energy conversion. The reactivity of these molecules depends on their bond dissociation free energy (BDFE), but studying the relationship between structure and thermochemistry across chemical space has been limited by computational expense. Here, we present the first use of the AIMNet2 neural network potential to calculate average BDFE (BDFEavg) values for the 2H+/2e− dehydrogenation of about 200,000 hydroquinone-like compounds, including vicinal diamines, diols, and dithiols. #compchem

[Isaac Garcia Bosch @IsaacGB9]

First preprint from our lab in collaboration with @olexandr : Machine Learning-Accelerated Screening of Hydroquinone Analogs for Proton-Coupled Electron Transfer | ChemRxiv - https://t.co/Bz6qw1beh6 Enjoy!!!!

[Tairan He @TairanHe99]

🚀 Can we make a humanoid move like Cristiano Ronaldo, LeBron James and Kobe Byrant?

YES!

🤖 Introducing ASAP: Aligning Simulation and Real-World Physics for Learning Agile Humanoid Whole-Body Skills

Website: https://t.co/XQga7tIfdw
Code: https://t.co/NpEeJtVxpp

[ₕₐₘₚₜₒₙ @hamptonism]

Convolutional Neural Networks in action

[Rajdeep Sarma @Ronde_vous]

@layankaushik is everything ok?

[Debasish Manna @debasishmanna38]

This is our first step towards creating a chemical toolbox for modifying the methylated cytosine, one of the most abundant epigenetic modifications in DNA.
https://t.co/OiBTzOoVuI
@InorgChem @chm_iiserb @iiserbhopal @PalitDipanwita @kshubhankar2020 @Pritamaniline @Ronde_vous

[Dept of Chemistry, IISER Bhopal @chm_iiserb]

Congratulations to Prof. Sanjit Konar's group for their recent perspective in Crystal Growth & Design.. "Magnetic Transition in Organic Radicals: The Crystal Engineering Aspects" https://t.co/nQJhLtECZx @iiserbhopal @MML_IISERB @KonarSanjit