Youri Ran

@Andrew_S_Rosen @tudelft @TUeindhoven @NorthwesternU @pablodeolavide @CompChemUvA Hi Andrew, yes that is true. We will start with versioning this week as we leave the alpha development phase. Thanks for your message and happy modeling!

@RanYouri @tudelft @TUeindhoven @NorthwesternU @pablodeolavide @CompChemUvA Wonderful news!!! Congrats to the whole team!! I've seen on GitHub that the 3.0.0 release has been continually overwritten. For new releases, can we assume that the version tag will be updated for the sake of reproducibility?

Monte Carlo with expanded ensembles are powerful methods to compute adsorption and diffusion processes in nanoporous materials. In @JChemPhys , we present RASPA3, the new version of the RASPA2 code. (1/8) pubs.aip.org/aip/jcp/articl…

Thanks to everyone involved in this great effort, @tudelft @TUeindhoven @NorthwesternU @pablodeolavide @CompChemUvA Let's continue building our computational toolbox for materials research!

The new object-oriented C++ implementation allows interfacing to other codes and modular implementation of new features. Feel free to open a GitHub issue or collaborate via github.com/iRASPA/raspa3 (7/8)

🔬 Happy to announce our latest publication "Unlocking Novel Therapies: Cyclic Peptide Design for Amyloidogenic Targets through Synergies of Experiments, Simulations, and Machine Learning." 📚 #AmyloidogenicTargets #ML #CyclicPeptideDesign shorturl.at/yPX79

Soft matter on the beach. Including intense scientific discussions, braving the freezing sea, and obsessively collecting shells..

Read my blog written at @ElectricAntLab on surfactant phase behaviour!

🔎 Searching for new ways to visualize complex fluids: a volume render of a surfactant solution, bringing out the surfaces (red) between the solvent (blue) and the micelles. #SimulationFriday #rheocube #simulationmodeling #modeling

💡Even though the models in RheoCube were not developed to capture phase transitions, you sometimes do get lucky and capture water (blue beads) freezing when mixed with decane (orange) when cooled to -10oC. In a sense, you can see the water "freezing". 🥶 #simulationfriday

@AntonioDeda Het is ook nooit genoeg...

Lockdown voorbij, fijn. Kunnen we ons eindelijk weer focussen op belangrijke issues. nos.nl/l/2383332

Initialization and equilibration phase of a mimo experiment. #digitalconfetti anyone? 🎊 (read thread) #simulationfriday

Non-ionic surfactant C12E6 forms micelles in water. This simulation is calculated with our new "Microscopic Modeling" feature in RheoCube. Say hello to "MiMo." #simulationfriday #simulationmodeling #modelingsoftware