Sijia Chen
@SijiaChern
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PhD candidate @UChicago, @VothGroup. Working with molecular dynamics simulation and ionic liquids.
Chicago, IL
Joined May 2021
In their latest paper for @JPhysChem, the @VothGroup devise a method to routinely sample longer time scale reactive simulation data with statistical precision when simulating chemically reactive phenomena such as protein transport. https://t.co/fEVVF9KbL1
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This morning we're starting our day with new research from the @VothGroup in @J_A_C_S: "Our results show that free-energy barriers for carbamate formation can be significantly reduced as the degree of steric hindrance of the anions decreases." https://t.co/zewMK5o7CN
On the Key Influence of Amino Acid Ionic Liquid Anions on CO2 Capture | Journal of the American Chemical Society @UChicago @VothGroup @UChiChemistry #Amino #Acid #Ionic #Liquid #CO2 #Capture
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New paper in @JPhysChem by @SijiaChern on studying the unusual effect of proton on hydrophobic solute transfer across the water−oil interface using multiscale reactive modeling. https://t.co/yZ8F4uy5vk # #InterfaceChemistry #SurfaceChemistry #MultiscaleModeling #compchem
pubs.acs.org
Molecular dynamics simulation and enhanced free energy sampling are used to study hydrophobic solute transfer across the water–oil interface with explicit consideration of the effect of different...
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New paper in @JPhysChem by @SijiaChern on elucidating how electronic polarizability and scaled-charge affect the interface properties of the room temperature ionic liquids. https://t.co/GRTzehH2xR
#IonicLiquid #InterfaceChemistry #SurfaceChemistry #ForceFields #Drude #compchem
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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
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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.
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The Voth group bottom-up coarse-graining software OpenMSCG is available at: https://t.co/JRHDwqrXVq. A forthcoming paper will describe it in detail, but for now, much of the detail is found in this paper: @jctc_papers
https://t.co/f50HP5kwki
#compchem
pubs.acs.org
The multiscale coarse-graining (MS-CG) method obtains CG interactions from atomistic configurations, as demonstrated previously for a variety of soft matter and biological systems. In this article,...
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