Giovanni M. Pavan Research Group

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People

The Pavan research group is split in two labs:
– Computational Physical Chemistry Laboratory (CPC Lab) @POLITO
– Computational Materials Science Laboratory (CMS Lab) @SUPSI


Prof. Giovanni M. Pavan – Full Professor

Head of CPC Lab @POLITO
Email: giovanni.pavan.at.polito.it

Head of CMS Lab @SUPSI
Email: giovanni.pavan.at.supsi.ch

Google Scholar profile


Dr. Claudio Perego – Senior researcher (Tenured)

CMS Lab @SUPSI

Email: claudio.perego.at.supsi.ch

Enhanced sampling, Molecular complexity, Out of equilibrium system, Self assembly

Google Scholar profile

Brief bio


Dr. Massimo Delle Piane – Assistant Professor (Tenured Track)

CPC Lab @POLITO

Email: massimo.dellepiane.at.polito.it

Density Functional Theory, Atomistic modeling, Enhanced sampling, Biomaterials, Adsorption

Google Scholar profile

Brief bio


Dr. Charly Empereur-mot – Researcher (Tenured)

CMS Lab @SUPSI

Email: charly.empereur.at.supsi.ch

Machine learning, Optimization, Material design, Self-assembly

Google Scholar profile

Brief bio


Dr. Luca Pesce – Researcher (Tenured)

CMS Lab @SUPSI

Email: luca.pesce.at.supsi.ch

Coarse graining, Metal-organic interactions, Enhanced sampling

Google Scholar profile

Brief bio


Dr. Annalisa Cardellini – Postdoc

CMS Lab @SUPSI

Email: annalisa.cardellini.at.supsi.ch

Atomistic & coarse-grain modelling, Self-assembly

Google Scholar profile

Brief bio


Dr. Daniela Polino – Postdoc

CMS Lab @SUPSI

Email: daniela.polino.at.supsi.ch

Ab initio molecular dynamics, Reaction mechanism analysis, Reaction kinetics, Catalysis

Google Scholar profile

Brief bio


Dr. Daniele Rapetti – Postdoc

CPC Lab @POLITO

Email: daniele.rapetti.at.polito.it

Global optimization, Density functional theory, Software development, Methods development

Google Scholar profile

Brief bio


Dr. Andrew Tarzia – Postdoc

CPC Lab @POLITO

Email: andrew.tarzia.at.polito.it

High-throughput rational material design, coarse-grained modelling, software development

Brief bio


Dr. Matteo Becchi – Postdoc

CPC Lab @POLITO

Email: matteo.becchi.at.polito.it

Supramolecular self-assembly, pathway complexity

Brief bio


Anna L. De Marco – Joint PhD student

CMS Lab @SUPSI
& UniversitΓ  degli Studi di Genova, Physics Department (DIFI)

Email: a.l.demarco.at.hotmail.it

Multiscale modelling, Molecular complexity, Out-of-equilibrium systems

Brief bio


Andrea Gardin – PhD student

CPC Lab @POLITO

Email: andrea.gardin.at.polito.it

Molecular & supramolecular dynamics, Soft matter

Google Scholar profile

Brief bio


Chiara Lionello – PhD student

CPC Lab @POLITO

Email: chiara.lionello.at.polito.it

Multiscale modelling, Self assembly, Stimuli-responsive materials

Google Scholar profile

Brief bio


Luigi Leanza – PhD student

CPC Lab @POLITO

Email: luigi.leanza.at.polito.it

Multiscale modelling, Molecular and supramolecular dynamics, Enhanced sampling

Google Scholar profile

Brief bio


Martina Crippa – PhD student

CPC Lab @POLITO

Email: martina.crippa.at.polito.it

Complex molecualr systems, Multiscale Modelling, Self-assembly

Brief bio


Matteo Cioni – PhD student

CPC Lab @POLITO

Email: matteo.cioni.at.polito.it

Molecular dynamics, Multiscale Modelling, Enhanced sampling

Brief bio


Cristina Caruso – PhD student

CPC Lab @POLITO

Email: cristina.caruso.at.polito.it

Multiscale Modelling, Machine Learning, Supramolecular systems

Brief bio


Mattia Perrone – PhD student

CPC Lab @POLITO

Email: mattia.perrone.at.polito.it

Self-assembly, Optimization, Coarse graining

Brief bio


Domiziano Doria – PhD student

CPC Lab @POLITO

Email: domiziano.doria.at.polito.it

Molecular simulations

Google Scholar profile

Brief bio


Former members

  • Dr. Riccardo Capelli – now assistant professor @ University of Milan
  • Dr. Francesco Muniz Miranda – now assistant professor @ University of Modena and Reggio Emilia
  • Dr. Davide Bochicchio – now assistant professor @ University of Genoa

Giovanni M. Pavan Lab Follow

We explore new routes in physical chemistry, self-assembly & bioinspired materials with molecular modeling, computer simulations & ML. @PoliTOnews @supsi_ch

LabPavan
Retweet on Twitter Giovanni M. Pavan Lab Retweeted
chemrxivcomp ChemRxiv Theoretical and Computational Chemistry @chemrxivcomp ·
23 Mar

Into the Dynamics of Rotaxanes at Atomistic Resolution https://ift.tt/I3qsX8i

Reply on Twitter 1638841161086541825 Retweet on Twitter 1638841161086541825 2 Like on Twitter 1638841161086541825 6 Twitter 1638841161086541825
labpavan Giovanni M. Pavan Lab @labpavan ·
23 Mar

Studying the dynamics of rotaxanes @ submolecular resolution & on experimentally-relevant timescales is key for rational design, but difficult experimentally & computationally.🀯
Now @ChemRxiv "Into the Dynamics of Rotaxanes at Atomistic Resolution"!πŸ§πŸš€πŸ₯³
https://ift.tt/I3qsX8i

Reply on Twitter 1638870949469601793 Retweet on Twitter 1638870949469601793 10 Like on Twitter 1638870949469601793 26 Twitter 1638870949469601793
Retweet on Twitter Giovanni M. Pavan Lab Retweeted
researchersjob RJ @researchersjob ·
15 Mar

Multiscale modeling and machine learning approaches used to study @LabPavan @JPhysChem
the structural and dynamical complexity of bicomponent and multicomponent micelles. Learn more about the pathways to dynamic reconfigurability https://know-todays-news.com/bicomponent-surfactant-micelles/

Reply on Twitter 1635848555633217539 Retweet on Twitter 1635848555633217539 3 Like on Twitter 1635848555633217539 8 Twitter 1635848555633217539
Retweet on Twitter Giovanni M. Pavan Lab Retweeted
vkrbek Larissa von Krbek @vkrbek ·
10 Mar

Really excited to be co-organising this year's #SysChem23 together with the wonderful @DDasLab, @LaurenZarzar, @giuliosflask, and @Hermanslab!
Follow @syschem23 for updates or check out the website πŸ‘‡

#ChemTwitter
#AcademicTwitter https://twitter.com/syschem23/status/1634177491622346753

Systems Chemistry Symposium 2023 @syschem23

Hey #SystemsChemistry enthusiasts! The virtual Systems Chemistry Symposium #SysChem23 goes into its 3rd round
πŸ“† Save the date: 10-11 July
πŸ”ƒπŸ—£οΈSpread the word

πŸ‘€We'll keep you posted on details and invited speakers here or on our website πŸ‘‡
http://www.systemschem.com

#ChemTwitter

Reply on Twitter 1634179954568052737 Retweet on Twitter 1634179954568052737 2 Like on Twitter 1634179954568052737 33 Twitter 1634179954568052737
Retweet on Twitter Giovanni M. Pavan Lab Retweeted
matteocionimc Matteo Cioni @matteocionimc ·
10 Mar

Who knew metal surfaces could have an identity crisis? πŸ€–πŸ€― Thrilled to announce my first paper as first author in @LabPavan, where we use machine learning to uncover their innate dynamics: https://twitter.com/LabPavan/status/1634143211051446272

Giovanni M. Pavan Lab @LabPavan

Always thought of metals as static hard-matter?βš™οΈπŸ”§

Come @JChemPhys to see deep-potential MD simulations & ML from SOAP data revealing metal surfaces as you never saw them before!πŸ§πŸš€πŸ”₯

https://aip.scitation.org/doi/10.1063/5.0139010

Reply on Twitter 1634148213530689537 Retweet on Twitter 1634148213530689537 1 Like on Twitter 1634148213530689537 12 Twitter 1634148213530689537
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