Giovanni M. Pavan Research Group

Life in the Group

November 20, 2019
To celebrate our first meeting, a dinner of Piedmontese cuisine is more than deserved!

November 18, 2019
First retreat of our group at Politecnico di Torino! Claudio Perego is updating us on the progresses in modelling fuel-driven self-assembling systems!

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Parrinello Group @GroupParrinello·

8 Jul

A unified approach to enhanced sampling. We combine in one framework metadynamics, replica exchange, thermodynamic integration, umbrella sampling and much more... By @inve_michele, @PiaggiPablo and MP https://arxiv.org/abs/2007.03055

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Charly Empereur-mot @CEmpereurMot·

8 Jul

Bonded terms in CG models of even big molecules now automatically parametrized via Swarm-CG! This is expected to facilitate MD studies in nanomaterial science, notably. Also handles dihedrals & symmetries properly! GitHub: https://github.com/GMPavanLab/Swarm-CG Preprint: https://chemrxiv.org/articles/preprint/Swarm-CG_Automatic_Parametrization_of_Bonded_Termsin_Coarse-Grained_Models_of_Simple_to_Complex_Molecules_via_Fuzzy_Self-Tuning_Particle_Swarm_Optimization/12613427

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Giovanni M. Pavan Lab @LabPavan·

7 Jul

Sick of manually refining & optimizing coarse-grained models? Check this out!
Swarm-CG automatically & efficiently optimizes bonded terms in CG models of simple-to-complex molecules. Versatile, easy to use, works perfectly with e.g. MARTINI & Gromacs. Great work @CEmpereurMot!

ChemRxiv@ChemRxiv

Swarm-CG: Automatic Parametrization of Bonded Termsin Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization by Giovanni M. Pavan & co-workers

https://doi.org/10.26434/chemrxiv.12613427.v1

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KorevaarLab @KorevaarLab·

1 Jul

Interested in joining our group and working on Emergent Phenomena in Life-like Active Matter @KorevaarLab ?
Please check out our recent opening: https://solliciteren.ru.nl/cgi-bin/share/og_pxs.pl?target=LI&recid=1106506. Both applications as a PhD student and post-doc are welcome! via @Radboud_Uni

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Prateek Dongare @Prateek_zz·

26 Jun

I am looking for two editors to join my team @NatureComms
Editorial experience is not required.
If you have a background in electrochemistry & excited about science, this could be for you. Please RT
@Chemjobber #Jobs @SpringerNature

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