Tuckerman Group

We perform research in theoretical chemistry, specifically classical and quantum statistical mechanics and machine learning methods applied to condensed phases.

[Tuckerman Group @GroupTuckerman]

We will be conducting a search at the assistant professor level this year for a faculty position at NYU in AI-enabled chemistry. If you know of anyone interested in applying (including yourself), the link to the application is here: https://t.co/5slp94Hofi

[Tuckerman Group @GroupTuckerman]

Our latest paper on quantum effects in proton transporting electrolytes (known as concentrated hydrogen-bonded electrolytes) shows how well equivariant transformer potentials can rationalize experiments: https://t.co/3p9rSrVowT

[Tuckerman Group @GroupTuckerman]

Mayor Mamdani announcing NYC's investment of nearly $30M in NYU's new quantum Q-Fab facility at 770 Broadway.

[Tuckerman Group @GroupTuckerman]

In our recent arXiv paper (https://t.co/BD4GAFRk3n), we illustrate the difficulties of using generative AI models for molecular crystal structure and polymorph prediction. Data remains a major challenge. We propose a solution, yet generative AI remains far from predictive.

[Tuckerman Group @GroupTuckerman]

I found this kind of cool. Any positive integer n can be expressed using only the number "2" three times using the following formula, where the number of square roots is equal to the desired integer n:

[Tuckerman Group @GroupTuckerman]

It was an honor to receive the Doctor Honoris Causa from the University of Toulouse last week.

[Tuckerman Group @GroupTuckerman]

From the 60th birthday symposium in honor of Ali Alavi, held at the beautiful venue of Schloss Ringberg in Bavaria.

[Tuckerman Group @GroupTuckerman]

We were pleased to contribute to the J. Chem. Phys. Festschrift dedicated to my former classmate at Columbia, MIT Prof. Jianshu Cao, an amazing and accomplished scientist. https://t.co/DebQKLYeOh

[Tuckerman Group @GroupTuckerman]

NYU's Quantum Institute (NYUQI) is announcing a new postdoctoral program. Check out the program description: https://t.co/WnuTBx381j, and apply here: https://t.co/sTfbWVq5wI

[Tuckerman Group @GroupTuckerman]

The deadline for nominations for the Michele Parrinello award in computational science is approaching. Learn more here:
https://t.co/krEL04yQCW

[Tuckerman Group @GroupTuckerman]

Our paper on our molecular crystal toolkit and what it can do is now online! https://t.co/VaUuEuvroa

[Tuckerman Group @GroupTuckerman]

Recent group photo in Washington Square Park. Lucky to have such a talented group of students and postdocs.

[Tuckerman Group @GroupTuckerman]

Really enjoyed participating in the NATO conference on anion exchange membranes at the Technion last November. Exciting conference in the beautiful city of Haifa.

[Tuckerman Group @GroupTuckerman]

https://t.co/LuQhuDjmYs

[Tuckerman Group @GroupTuckerman]

Check out our paper on an Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Data set Generation for Training Machine-Learned Interatomic Potentials | Journal of Chemical Theory and Computation

[Tuckerman Group @GroupTuckerman]

Our new paper on proton and proton-electron transport in structured organic electrolytes just appeared in PNAS. Fantastic collaboration between theory and experiment in our EFRC with simulations driven by ML: https://t.co/5J8EpwZxd4

[Tuckerman Group @GroupTuckerman]

Our contribution to the Parrinello Festschrift and also the first publication from the Einstein Fellowship; on organic electrolytes supporting Grotthuss charge transport with significant nuclear quantum effects.
https://t.co/WhTYd6VLEM

[Tuckerman Group @GroupTuckerman]

At the ribbon cutting ceremony for the new Torch HPC platform at NYU: 38k CPUs, 504 GPUs, and efficient.

[Tuckerman Group @GroupTuckerman]

The "authors club" at the Varenna@40 meeting in Rome.