Jordi Faraudo Gener @[email protected]
@jordi_faraudo
SoftMatter Theory PI @icmabCSIC. Using physics and computers to understand soft matter, where phys-chem-bio-materials meet. PERSONAL profile. Opinions are mine.
ID: 3289944657
https://scholar.google.com/citations?user=NyTp2kAAAAAJ&hl=ca&oi=ao 19-05-2015 13:12:11
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Cool work on automatic torsion reparameterization for GAFF2-type force fields today in ChemRxiv by Nullius in verba York Group LBSR Madushanka Manathunga &c. The results below are solid (although the "reference" theory is B3LYP/6-31G(d)...) dx.doi.org/10.26434/chemr…
Worth noting that Joshua Horton Cole Group John Chodera (he/him) David Mobley &c have an open-source Python package for doing this within the OpenForcefield ecosystem (github.com/openforcefield…). It will probably be pretty powerful to integrate these tools with next-gen NNPs...
💡 A new #chemistry RES success story 💡 📋 "Development of computer simulations to study CO2 and nitrogen hydrate nucleation with thermodynamic promoters" led by Felipe J. Blas from Universidad de Huelva 🖥️#Picasso SCBI UMA 👉Full story: linkedin.com/feed/update/ur… #REStories #ICTSNews
Mañana empiezo las clases con uno de mis grupos y ya estoy anticipando las preguntas más típicas... 😂Samuel Parra León Que conste que sí las cuelgo, pero primero aviso de lo que dice la cencia.
We are organizing a CECAM workshop on "Understanding Peripheral Protein-Membrane Interactions". Attending online is FREE, with registration by Sept. 18: lnkd.in/dQ7PBJYW Marta Filizola Gervasio's Research Group (Protein Dynamics) Linda Columbus 🏳️🌈 Matteo Dal Peraro Syma Khalid Nathalie Reuter VanniLab
🗓️ El calendario previsto de convocatorias de la #AEI (Agencia Estatal de Investigación) te permitirá planificar con antelación la participación en diversas iniciativas de financiación y apoyo a la investigación. 🌐 Este calendario incluye las fechas clave para la presentación de solicitudes,
"Excited to have completed my #Habilitation procedure! A huge thank you to the juries (Florent Barbault, Sophie Sacquin-Mora, Thomas Simonson, Sebastien Balme and Alain Dequidt), colleagues, and students for their invaluable support throughout this journey!
To help my students comprehend artificial neural networks (ANN), including initialization, backpropagation, and updating, I built an ANN from scratch and developed a custom interactive #Python dashboard using Matplotlib. Now, when I teach these concepts, students engage in