Top Tweets for #surfxsim

about 2 months ago

Our recent work on #SURFXsim has been featured as an Inside Cover Artwork in JCTC! 😊 ➡️ Read the paper (open access) here: https://t.co/uUVYVEPsVC #compchem #MolecularDynamics #EnhancedSampling #Metadynamics #spin #quantumchemistry

asoledaura's tweet photo. Our recent work on #SURFXsim has been featured as an Inside Cover Artwork in JCTC! 😊

➡️ Read the paper (open access) here: https://t.co/uUVYVEPsVC

#compchem #MolecularDynamics #EnhancedSampling #Metadynamics #spin #quantumchemistry https://t.co/PbqM1fxjgY

233

Albert Solé-Daura @asoledaura

3 months ago

Huge thanks to Ajmal for driving #SURFXsim, and to @Carles_Bo and Bernd for their contribution. Special thanks to the #JuniorLeader programme (@BecarisFLC @BecariosFLC ), whose seed funding launched this project, and to the @AgEInves ,@ICIQchem ,@quimicaURV, @QCG_URV for support

228

Albert Solé-Daura @asoledaura

3 months ago

#SURFXsim is now published in #JCTC @JCIM_JCTC @jctc_papers SURFXsim is an open-source code that brings spin-forbidden free-energy simulations to #ASEand #PLUMED using a mixed Hamiltonian and a new spin-gap CV. Happy sampling! 🚀 https://t.co/8OPQ3RWY6A #MolecularDynamics #MD

318

Albert Solé-Daura @asoledaura

3 months ago

This guy received the proofs of the first paper from his PhD today! 🎉 A great milestone in the development of #SURFXsim. Very well done, Ajmal! Lots more cool science to come👏 #ProudPI #compchem

asoledaura's tweet photo. This guy received the proofs of the first paper from his PhD today! 🎉
A great milestone in the development of #SURFXsim.
Very well done, Ajmal! Lots more cool science to come👏
#ProudPI #compchem https://t.co/TmKmBU5GrK

776

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