Saientan Bag

Reproducing experimental observation in simualtion is not always easy. This is one of the instances where we became successful... doi.org/10.1021/acs.ie…

@WBSEDCL1 : recent Electricity bill associated with Consumer ID 101127386. is unreasonably high, amounting to approximately Rs. 4000, despite the apartment being largely unoccupied in the past few months with minimal electricity usage. Please rectify this.

Webinar Series: From Molecules to Materials Applications schrodinger.com/materials-scie…

Want to design a ML model but don't have enough data to train. Go Synthetic!!!! Here is our recent article...... pubs.acs.org/doi/10.1021/ac…

@MadhusmitaTri Thanks @MadhusmitaTri Di....

@saientan Congratulations Saientan. Remember, every step counts :)

Not the most successful attempt, but we published anyway! Machine Learning Assisted Monte Carlo Simulation: Efficient Overlap Determination for Nonspherical Hard Bodies - Bag - Advanced Theory and Simulations - Wiley Online Library onlinelibrary.wiley.com/doi/10.1002/ad…

JRF position available in our reaseach group at IITH for a @serbonline funded project for two years. Please RT. #Hyderabad #Research #biophysics #IndianBiophysicalSociety #computational #IITHyderabad

@maadulon @MathijsSanders Zotero or Mendelay

@SwamiBharadwaj Thanks!

Thrilled to announce that I've been awarded a DFG (Deutsche Forschungsgemeinschaft) grant for my independent postdoctoral research!!

@NaskarSupriyo Thanks :)

@saientan Congratulations 👏🏽

Bring molecules to life from hand-drawn structures. You can download MolAR here: iOS: apps.apple.com/us/app/molar-a… Android: play.google.com/store/apps/det…

Is GPT-3 all you need for low-data discovery in chemistry? | ChemRxiv doi.org/10.26434/chemr…

Academia’s culture of overwork almost broke me, so I’m working to undo it nature.com/articles/d4158…

Can a coarse-grained model provide reasonable structural as well as the dynamical property of the system? Toward a Mobility-Preserving Coarse-Grained Model: A Data-Driven Approach pubs.acs.org/doi/10.1021/ac…

How can simulations and machine learning contribute to scientific understanding? @NatRevPhys nature.com/articles/s4225… with @MarioKrenn6240 @A_Aspuru_Guzik and many more!

Lab leaders wrestle with paucity of postdocs nature.com/articles/d4158…

Nature Communications charges $5890/article and has published 159 articles in the last 7 days. Much of that is paid by federal grants. This means that the money spent on *one* journal over the course of 2 weeks could support an entire graduate cohort for a year.

Our newest article combining Simulation and Experimental studied ist Out: Peptide adsorption on silica surfaces: Simulation and experimental ins... sciencedirect.com/science/articl… @saientan @MedUniGraz @KITKarlsruhe @TU_Muenchen

Here is the preprint from our recent work where we use ML to simulate non-circular rigid bodies.... I would appreciate your opinion on this.... arxiv.org/abs/2207.10917