Kuntal Ghosh

Grad student in theoretical chemistry @UChicago! @IITKanpur @sxc_cal alumnus!

[Kuntal Ghosh @kuntalg259]

I am thrilled to announce that I recently defended my Ph.D. thesis under the guidance of Prof. Gregory Voth in the Department of Chemistry at the University of Chicago!
@UChiChemistry @VothGroup

[John Jumper @JohnJumperSci]

A bit of news: After nearly 9 years, I have decided to leave Google DeepMind and join Anthropic (after taking some time to recharge). I am incredibly grateful for my time at GDM. @demishassabis took a real chance letting me lead the AlphaFold team just six months after finishing my PhD, and the entire GDM team taught me so much about how to do great science. GDM is a special place, and I’ll still be excited to hear about what amazing things they discover next.

[机器之心 JIQIZHIXIN @jiqizhixin]

New paradigm from Kaiming He's team: Drifting Models!

With this approach, you can generate a perfect image in a single step.

The team trains a "drifting field" that smoothly moves samples toward equilibrium with the real data distribution.

The result? A one-step generator that sets a new SOTA on ImageNet 256x256, beating complex multi-step models.

[Kuntal Ghosh @kuntalg259]

We recently developed a new method called multiscale reactive molecular dynamics/coarse-grained molecular mechanics (MS-RMD/CG-MM) - enabling fast and accurate studies of chemical reactions in a coarse-grained environment!
@JCIM_JCTC @VothGroup

https://t.co/PGdkSTbUAK

[Mohammed Siraj @mdsirajofficial]

You asked. I delivered.

Really appreciate coming from you ❤️

[Nature is Amazing ☘️ @AMAZlNGNATURE]

Cub’s great escape instantly canceled by Mum

[BCCI @BCCI]

𝗧𝗵𝗮𝗻𝗸 𝘆𝗼𝘂, 𝗩𝗶𝗿𝗮𝘁 𝗞𝗼𝗵𝗹𝗶! 🙌

An era ends in Test cricket but the legacy will continue FOREVER! 🫡🫡

@imVkohli, the former Team India Captain retires from Test cricket.

His contributions to #TeamIndia will forever be cherished! 👏 👏

[CricTracker @Cricketracker]

The Fab-four are fading away 😢

[ICC @ICC]

📸 from an illustrious ODI career 😍

Steve Smith leaves a lasting legacy for Australia 🇦🇺

Read more ➡️ https://t.co/dPhOrMeuVu

[Machine Learning in Chemistry @ML_Chem]

Advancing nonadiabatic molecular dynamics simulations in solids with E(3) equivariant deep neural hamiltonians #machinelearning #compchem https://t.co/XXiUOebKZv

[Sachin Tendulkar @sachin_rt]

Afghanistan’s steady and consistent rise in international cricket has been inspiring! You can’t term their wins as upsets anymore, they’ve made this a habit now.

A superb century by @IZadran18 and wonderful five-for by @AzmatOmarzay, sealed another memorable win for Afghanistan.

Well played!

#AFGvENG

[Watvina @Biocheming]

VMD 2.0 is coming although 1.94 in beta. https://t.co/h62w9V4XMX

[Kuntal Ghosh @kuntalg259]

With Dr. John Jumper, Nobel laureate in Chemistry (2024)!

[Paesani Lab @PaesaniLab]

🚨 BREAKING: Water’s coolest mystery, solved! 🌊

Our latest study, published in @NaturePhysics, provides the most realistic molecular picture of supercooled #water to date! 🚀
👉 https://t.co/Ni3Qd9AEbF

Enabled by our MB-pol #datadriven #manybody potential, we have achieved, for the first time, CCSD(T)-level accuracy for microsecond-long simulations, allowing us to resolve one of the most debated questions in water research: Does supercooled #water have a liquid–liquid critical point?💧❄️

Main results:
✅ We predict a liquid–liquid critical point at ~200 K and ~1,250 atm, consistent with experimental extrapolations where direct measurements of water’s phase behavior are possible.

✅ Our simulations provide compelling evidence that water can exist in two distinct liquid phases at low temperatures and high pressures, resolving a three-decade-long scientific puzzle.

✅ These findings open the door for experimental validation, including potential measurements in nanodroplets.

Why is this important?
For over 30 years, the existence and precise location of this critical point have been hotly debated. Our MB-pol #datadriven #manybody simulations set a new benchmark for predicting water’s phase behavior across thermodynamic conditions and environments. 🏄‍♀️

Beyond fundamental science, our results pave the way for realistic simulations of water-mediated processes in:
🌧️ Atmospheric and environmental chemistry (e.g., cloud formation, climate modeling)
🌎 Geochemistry and planetary science (e.g., water in extreme conditions)
🧬 Biophysics and biochemistry (e.g., water’s role in biology)
🔬 Materials science (e.g., aqueous solutions in energy applications)

We are very grateful to @AFOSR for funding this research through our "MURI: Unraveling the Mechanisms of Ice Nucleation and Anti-Icing through an Integrated Multiscale Approach", and to @DoD_HPCMP, @ACCESSforCI, and @SimonsFdn for providing #GPU and #CPU time!

@UCSanDiego @UCSDPhySci @UCSDChemBiochem @HDSIUCSD @SDSC_UCSD

[ICC @ICC]

𝐂𝐇𝐀𝐌𝐏𝐈𝐎𝐍𝐒 🏆 🇮🇳

Congratulations India 👏

#U19WorldCup #SAvIND

[William L. Jorgensen @JorgensenWL]

It is very sad to learn that Martin Karplus passed away on Dec 28 at age 94. He was a scholar and pioneering chemical physicist with great contributions in many areas including molecular dynamics. We interacted many times starting from my graduate time at Harvard. His legacy is reinforced by the large number of coworkers who have also done much to advance computational science.

[ICC @ICC]

No stopping Jasprit Bumrah this Border-Gavaskar series 👏

#AUSvIND #WTC25

[BCCI @BCCI]

𝙏𝙝𝙖𝙣𝙠 𝙔𝙤𝙪 𝘼𝙨𝙝𝙬𝙞𝙣 🫡

A name synonymous with mastery, wizardry, brilliance, and innovation 👏👏

The ace spinner and #TeamIndia's invaluable all-rounder announces his retirement from international cricket.

Congratulations on a legendary career, @ashwinravi99 ❤️

[ICC @ICC]

A Kane Williamson classic in Hamilton 👏

#WTC25 | 📝 #NZvENG: https://t.co/9lhSAYCPYV

[Machine Learning in Chemistry @ML_Chem]

Descriptor-Free Collective Variables from Geometric Graph Neural Networks #machinelearning #compchem https://t.co/eP6SZIBGIE