Very useful paper for those who are starting to use machine learning approach in their projects. Please give it a read. A good description of ML techniques used in the paper. Nikhil AVS
'Building robust #machinelearning models for small chemical science #data : the case of shear #viscosity of #fluids ' by Nikhil AVS BalasubramanianS Sudarshan et al JNCASR Bangalore his 500 downloads! bit.ly/3G5HccC #compchem #fluiddynamics #moleculardynamics #AI #data science #HPC
Our first attempt at applying #MachineLearning to small chemical science data. Read to know more on #ML for #smalldata . BalasubramanianS Sudarshan
Learnt much through Nikhil AVS . Take a bow!
ML models to predict Shear Viscosity of LJ fluids from atomistic #MD #simulations data sets.
#More_To_Come #moleculardynamics
This is our first work on High Concentration #Electrolytes . Appeared in JPCL The Journal of Physical Chemistry a couple of days ago. By my students Srimayee Mukherji Nikhil AVS & Rahul. We show Ion Hopping using van Hove TCFs, Quantitative agreement with Expts on Conductivity, .. pubs.acs.org/doi/10.1021/acβ¦
New work of Nikhil AVS & others, from our Group in JCTC.
Efficient Parametrization of Force Field for the Quantitative Prediction of the Physical Properties of Ionic Liquid Electrolytes pubs.acs.org/doi/10.1021/acβ¦
Our recent work! Srimayee Mukherji Nikhil AVS and I study the polar solvent, sulfolane. It is used to dissolve lithium salts #electrolytes .
Refined Force Field for Liquid Sulfolane with Particular Emphasis to Its Transport Characteristics
pubs.acs.org/doi/10.1021/acβ¦
Billie M. Reynolds π·π΄DJ 2N DA ROMΓNIAπ¨π΄ HD π Bronx_PR PatA π¨π¦πΊπ¦π¨π¦ C E S A R V γγγγ€γγΌγ‘γ Julsbela nos avala βοΈπ§‘π₯ππΉβ³ Paulo Gomes Melefezu18 Chickpea Satan Tony Mcguinness Sadia Koert Smit ππππππabuwaafi lil γγγ΄γγε·» Chris Whittington Nikhil AVS Miriam Spitzer Franklin Justinπβ€οΈβπ₯ Xenia Ioannidis π¬π· πΊπΈ EU Parliament Candidate Iamking
Important and useful development from my Ph. D. Lab. Congratulations BalasubramanianS and Nikhil AVS and team.ππ
Definitely a good read for #MachineLearning enthusiasts from chemical sciences background from our lab JNCASR Bangalore. Nikhil AVS BalasubramanianS
At very high salt concentration #Electrolytes for batteries #HCEs (Batteries & Supercaps,Battery Scholar ,Moumita Rana ,Battery Papers ), alkali ions resort to #ionhopping alongside diffusion. We (myself, BalasubramanianS, Nikhil AVS, and Rahul) rigorously explore hopping in The Journal of Physical Chemistry Letters
I have uploaded a recorded poster presentation on our work on Li-ion hopping in highly concentrated electrolytes (published Oct 2020) on the #ACSSpring2021 virtual portal. All registered participants can view it. I'll be happy to chat. BalasubramanianS Nikhil AVS pubs.acs.org/doi/10.1021/acβ¦
An excellent piece of work on IL force field refinement by Nikhil AVS, Anwesa, Rahul, and BalasubramanianS. This method can now be used by the community at large for force field refinement.
