Chiara and Daniele presenting their PhD projects at the ICTP MARVEL College poster session! Intensive and constructive atmosphere, learning about materials simulations in the age of AI #modelling #compchem @fabrizianegri.bsky.social

Water confined in molecular crystals: structure and dynamics. Glad to see our study published for the Festschrift in honor of Prof. Christoph Dellago @chhdellago.bsky.social #dynamics #water #softmatter #statphys #orderparameters #hydrogenbonds pubs.aip.org/aip/jcp/arti...

Structure and dynamics of confined water in naphthalene-diimide based molecular crystals

Under confinement, water changes its structure and dynamics, displaying new properties with respect to the bulk. We studied water confined in naphthalene diimid

pubs.aip.org

Undergraduate student interested in molecular dynamics, quantum chemistry, or ML for materials? Join the @cecamevents.bsky.social Summer School at SISSA (Trieste), June 22–July 3, 2026. Designed specifically for beginners. Details & apply: www.cecam.org/workshop-det...

Chiara, Marco (@M_Severi_96) and myself delivered three talks at the Winter Workshop on Materials for Energy in Brixen! Great atmosphere, ideas, networking and...a lot of fun skiing! #compchem #modelling #softmatter

Few days ago we greeted Freia with a nice group dinner. Freia stayed three months at our Chem Dept at Unibo as Erasmus+ student, working on excited states of copper-halide cubanes #softmatter #photochem #compchem

Congratulations (Dr.) Robert! Four intense years, from master to PhD, an incredibile journey, learning new aspects about #organicelectronics and #OMIEC ...and having a lot of fun! All the best for your future! #compchem #softmatter #modelling @tide-rtg.bsky.social @unicologne.bsky.social

I have a three-year PDRA position to work on the development of adaptive embedding methods. Please share this with anyone who may be interested. #CompChem www.ucl.ac.uk/work-at-ucl/...

We just kick-started our first workshop of the year, the CECAM Flagship workshop “A Roadmap for an Atomistic Machine Learning Software Ecosystem” - laptops open, ideas humming, and the groove has begun. www.cecam.org/workshop-det...

Sven and Robert at the MRS in Boston presenting their posters on structural dynamics and phase-change in merocyanine crystals, and mixed ion-charge transport in polymers! Super! #compchem #softmatter #MRS

Bird flocks and soft organic materials? We disclosed the structure and dynamics of naphthalene diimides via XRD, MD simulations and correlation functions! #compchem #softmatter #ndis #omiec pubs.rsc.org/en/content/a...

Disclosing the molecular structure and dynamics of naphthalene diimide based organic semiconductors in the solid state

Naphthalene diimide (NDI) based molecules are soft organic functional materials investigated for their n-type semiconducting properties and, recently, for their coupled electronic and ionic transport ...

pubs.rsc.org

Two weeks, four graduations of super talented students! Thanks to Giulia, Antonio, Filippo and Agustin, and thanks to Sven, Robert and Marco who supervised them daily! #moleculardynamics, #softmatter and #water... stay tuned :)

Dynamics of disorder play key role in mixed ionic-electronic amorphous soft conductors. Very excited to see this work finally published! Great collaborative effort between @tide-rtg.bsky.social #deptchemciamician and #aletroisiliverpool #softmatter #compchem pubs.rsc.org/en/content/a...

Last week I received the best lecture award at the physical chemistry conference CDCF50 & ECPC, in Pisa. Very much honoured! A special thanks to my students and collaborators for the exciting work! @tide-rtg.bsky.social #softmatter #compchem #physchem

Attending CDCF50 and ECPC in wonderful Pisa. I gave a talk today on modelling disorder effects in organic soft materials. A lot of interesting interactions and contributions! #softmatter #chemcomp #physchem

ESI medal to Michele Parrinello!

Back to run after 5 weeks stop. Such a nice feeling :)

Chiara presented her first #compchem spectroscopy work at the "Workshop on Raman Spectroscopy for Materials Science" at PoliMi! And she won the 2nd prize for the best poster, brava Chiara! #materialsscience #vibspec #photochem

Investigating the stability of polymer network based organic electrodes. Experiments + modelling #softmatter #chemcom #batteries #polymers onlinelibrary.wiley.com/doi/10.1002/...

Naphthalene Diimide and Pyromellitic Diimide Networks as Cathode Materials in Lithium‐ion Batteries: on the Instability of Pyromellitic Diimide

Crosslinked polymers of napthalene and pyromellitic diimide, functionalised with ethylene glycol chains (PMDI-EG and PNDI-EG) are synthesized in two steps combining Mitsunobu reaction and cationic po....

onlinelibrary.wiley.com

Changing the exciton and charge transport properties by ordering merocyanines in thin films. Experiments + modelling! #softmmatter #chemcom pubs.rsc.org/en/content/a...

Influencing optical and charge transport properties by controlling the molecular interactions of merocyanine thin films

In amorphous organic semiconductors, charge transport typically takes place via slow hopping processes, but it is known that molecular aggregation can lead to enhanced exciton and charge transport thr...

pubs.rsc.org