The Voth group bottom-up coarse-graining software OpenMSCG is available at: software.rcc.uchicago.edu/mscg. A forthcoming paper will describe it in detail, but for now, much of the detail is found in this paper: JCTC Papers doi.org/10.1021/ct9006… #compchem

A special message from Trevor Noah

"''"' ""'" #MoreSmores!

Happy Halloween! 🎃 👻

Always add your own personal flair!

In this election, millions of people cast their ballots for an America that is more fair, more just, more equal, and more free. We’re not there yet, but this keeps us moving forward. Our democracy is resilient as long as we stay engaged and active between elections.

Peer reviewing of manuscripts - is it THAT important as everyone thinks? I thought of writing this post later, but Nature has catalyzed me to do it now. Their article mentions the following important points: #science #research #AcademicTwitter

New paper in The Journal of Physical Chemistry by Sijia Chen on elucidating how electronic polarizability and scaled-charge affect the interface properties of the room temperature ionic liquids. doi.org/10.1021/acs.jp… #IonicLiquid #InterfaceChemistry #SurfaceChemistry #ForceFields #Drude #compchem

New paper in The Journal of Physical Chemistry by Sijia Chen on studying the unusual effect of proton on hydrophobic solute transfer across the water−oil interface using multiscale reactive modeling. doi.org/10.1021/acs.jp… # #InterfaceChemistry #SurfaceChemistry #MultiscaleModeling #compchem

For Harrison: 🎂 ❤️ from your pal forever

Life is full of possibilities

Monday Mood #Peanuts

This morning we're starting our day with new research from the Voth Group in J. Am. Chem. Soc.: "Our results show that free-energy barriers for carbamate formation can be significantly reduced as the degree of steric hindrance of the anions decreases." pubs.acs.org/doi/10.1021/ja…

In their latest paper for The Journal of Physical Chemistry, the Voth Group devise a method to routinely sample longer time scale reactive simulation data with statistical precision when simulating chemically reactive phenomena such as protein transport. pubs.acs.org/doi/10.1021/ac…