How Machine Learning techniques can be used to predict the outcome of a chemical reaction? Here it is: https://t.co/fshPobd5sl
Predictive power of ML for "Low data" in chemistry is gratifying to see! Congrats Sunoj (IIT Bombay).👏👏👏
We are successful in speeding up hybrid density functional based ab initio molecular dynamics by 7 times. This is achieved by creating an approximate time-scale splitting using Adaptively Compressed Exchange Operator. Our paper is out in JCP: https://t.co/4Wuzjbp5Uf
Editorial: Many PhD students and postdoctoral researchers are overworked and overstressed — and their mental health is suffering because of it. https://t.co/sJrtTomDOn
To those who do not know mathematics it is difficult to get across a real feeling as to the beauty, the deepest beauty, of nature. If you want to learn about nature, to appreciate nature, it is necessary to understand the language that she speaks in.
Frank Noe wrote an excellent article on using machine learning to sample conformational states of complex systems. We were privileged enough to be asked to write a perspective on it. Here's the link:
https://t.co/qa4Bip1IdG
This year, @IITKanpur has instituted two new awards, one of which is the Excellence in Teaching Awards given to 23 faculty from across all departments. Heartiest congratulations to all!
Prof V Chandrasekhar @TIFRH_buzz and Prof Uday Maitra @iiscbangalore giving fantastic popular-lectures on International Year of Periodic Table @iypt2019 during @2019Crsi @IITKanpur. It was a fascinating 1 hr journey through its history.
Prof H Illa @jncasr (alumni and retd. faculty @IITKanpur ) receiving CRSI gold medal and life time achievement award @2019Crsi @IITKanpur. It was highly motivating to hear about Prof Illa’s amazing scientific journey. Hearty congratulations!
It was truly amazing to listen to the exciting talks by Profs Sanjib Senapati @iitmadras , Durba Sengupta NCL Pune, and Jagannath Mondal @TIFRH_buzz in the Special Session on Computers in Chemical Biology @2019Crsi @IITKanpur
Prof M Eswaramoorthy @jncasr delivering CNR Rao National Prize for Chemical Research @2019Crsi meeting @IITKanpur on his amazing findings of adaptive reversible mesoporous materials.
Prof Santanu Bhattacharya @iacskolkata @iiscbangalore giving the first ACES lecture @2019Crsi @IITKanpur on florescent nanoscopic assemblies for sensing properties of cellular membranes.
Prof S Sivaram delivering Gold Medal Lecture @2019Crsi @IITKanpur . It was truly inspiring to hear from him about his amazing scientific journey that had started @IITKanpur.
@2019Crsi banner near the main gate of @IITKanpur welcoming the participants. Our preparations are nearing an end. Monsoon rains have set a great ambience for intense scientific discussions. Can’t wait anymore... 😀
Excited to welcome 300 registered participants including CRSI members, and CRSI award winners to the @2019Crsi at @IITKanpur, L20 Lecture Hall Complex, during July 19-21. Academic program comprises 23 lectures and150 posters.
https://t.co/K0rsqhn9kf
We are all set to welcome ACS Editors, @ACSPublications, @acsindia and participants across India to @IITKanpur for the second CRSI-ACS Meeting.
https://t.co/xPlyIyj3Cs