Harender Dhattarwal

PostDoc Associate at @RutgersChem with @rcremsing. Ph.D. @iitdelhi

[Harender Dhattarwal @HSDhattarwal]

In this new preprint, we show how iodide polarization fluctuations enhance Ag⁺ diffusion—linking molten salt dynamics to the “electronic paddle-wheel” in superionic solids.

https://t.co/imgCqf9u56

[Rick Remsing @rcremsing]

New preprint with Colin Hylton-Farrington on halide perovskites - lone pair-induced off-centering and octahedral tilting are not coupled 👀

https://t.co/kExThDnR9M

[Harender Dhattarwal @HSDhattarwal]

Thrilled to announce I've received the ⁦@AmerChemSociety⁩ ⁦@ACSCOMP⁩ ⁦@WileyGlobal⁩ Outstanding Postdoc Award! 🎉 Huge thanks to Prof. ⁦@rcremsing⁩ , for his unwavering support and guidance. #ACSComp #Wiley #Postdoc #Chemistry #Awards

[Harender Dhattarwal @HSDhattarwal]

Our new work 🚀 in @rcremsing lab highlights how electronic paddlewheels modulate time-dependent friction, impacting diffusion in solid-state ionic conductors: https://t.co/GbA5Qz6IYB
#compchem #MaterialsScience #MachineLearning

[FortranTip @fortrantip]

Gfortpy by Robert Farmer enables Python >= 3.7 to call Fortran code compiled by gfortran >= 8 by reading the .mod files it creates. You only need to have your code in a module and compiled as a shared library, with no annotations or other changes needed. https://t.co/9GEjyCURTn

[Harender Dhattarwal @HSDhattarwal]

Our paper on the effect of Ionic Iiquids in the capacitive performance of water-in-salt electrolyte is out in @JPhysChem

[The Journal of Physical Chemistry @JPhysChem]

.@HSDhattarwal and Prof. Hemant K. Kashyap assessed the capacitive performance of combination two of the best electrolytes: Ionic liquids and Water-in-salt electrolytes using constant potential simulations.
https://t.co/2wX4doSjLt

[Rick Remsing @rcremsing]

Our paper on electronic paddle-wheels in solid-state ion conduction is now online at @NatureComms !! 🔋

https://t.co/FAYQBQ0tAE

[Rick Remsing @rcremsing]

Now in @JChemPhys !

https://t.co/yUcQaPXCdH

[Ellen Zhong @ZhongingAlong]

I am recruiting PhD students @PrincetonCS interested in ML applications in bio!

Our group aims to define new problems for AI in molecular & structural bio. We work at the intersection of many areas incl 3D vision & generative modeling for proteins. Plus we make useful tools!❄️🐉

[Harender Dhattarwal @HSDhattarwal]

Unwrapping an early Christmas gift from @rcremsing…the logo does shine bright 🤩

[Harender Dhattarwal @HSDhattarwal]

Our recent work in @rcremsing’s lab explores the coordination between anion rotation and cation diffusion, aka paddle-wheels, in monatomic solid state electrolytes

[Rick Remsing @rcremsing]

Latest from @HSDhattarwal, with former undergrad Rahul, bridges ion conduction mechanisms in molecular and monatomic solid-state electrolytes with electronic paddle-wheels 🔋🏓🛞
https://t.co/S6riIJYiyF

[Harender Dhattarwal @HSDhattarwal]

Check out our latest publication on long-range ML molecular dynamics. Our SCFNN model learn relevant physics behind electric response and accurately predicts dielectric saturation at higher fields. #compchem #MachineLearning #neuralnetworks @JPhysChem
https://t.co/Qy3IewKkqU

[Rick Remsing @rcremsing]

Very happy that our @JPhysChem B perspective on modeling long range interactions with LMF theory is out now! 😁

https://t.co/k4bboYZ1FQ

We discuss intuitive ways to address challenges with Coulomb interactions while gaining physical insight

[Harender Dhattarwal @HSDhattarwal]

Good research opportunity #MachineLearning #compchem #phd

[Raghunathan Ramakrishnan @raghurama123]

I have a JRF/SRF position to work on ML and DFT modeling of molecules/materials. A background (BS-MS/M.Sc./B.Tech) in chemistry/physics/biology/bioinformatics is required. Please contact me at [email protected] for more details.

[Harender Dhattarwal @HSDhattarwal]

Decoding the effect of #ether solvent fluorination on the initial #SEI formation in #Lithium metal batteries. @JPhysChem https://t.co/LqeUY9RHBQ

[Harender Dhattarwal @HSDhattarwal]

Our recent work on the #liquid #structure of superconcentrated mixtures of #WISE and #ionicliquids. @JPhysChem
https://t.co/FycCKqaxLZ