Based on the success of the MolSimEng workshop, we organize a one-day workshop dedicated to Early Career researchers (Master students, PhD students and postdoctoral fellows) working in the field of molecular modelling and simulation for chemistry, physics, biology and engineering. 

The aim is to bring together early career computational scientists in an engaging and collaborative setting to exchange ideas, discuss recent advancements, and foster new collaborations. 

To facilitate the participation, the workshop is completely free of charge, anyhow, registration is mandatory.

The first edition of the workshop will take place on 08/06/2026 at Politecnico di Milano.

The program will feature selected talks covering a broad range of topics within molecular modelling and simulations — from traditional applications of quantum chemistry and classical molecular dynamics to innovative research in emerging areas like machine learning  and quantum computing. In addition to oral presentations, the workshop will include an expanded poster session, offering all young participants the opportunity to present and discuss their latest research.

For this first edition we will host a Keynote lecture by Prof. Benedetta Mennucci (Full Professor at the Department of Chemistry and Industrial Chemistry of University of Pisa).

For info please contact us at molsimengec AT gmail DOT com

Important Dates

17/04/2026   Abstract submission deadline

04/05/2026 Notification of abstracts acceptance for oral presentations

15/05/2026 Registration deadline 

08/06/2026 Workshop

The workshop is part of the activities of the CECAM-IT-SIMUL node of the Centre Européen de Calcul Atomique et Moléculaire, and is organized in collaboration with the Department of Chemistry, Materials and Chemical Engineering "Giulio Natta" of the Politecnico di Milano.

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The Organizing Committee: Alessandro Genoni, Elena Leviva, Alessandro Mariani, Luna Pratali Maffei (DCMC-Politecnico di Milano).