Integrating Simulations and Experiments for Advanced Applications – Workshop Highlights from Belgrade

On January 13, 2026, we organized the Workshop on Integrating Simulations and Experiments for Advanced Applications at the Serbian Academy of Sciences and Arts (SANU) in Belgrade. The event, supported by Enterprise Europe Network, brought together researchers from academia and industry to discuss how multiscale simulations and advanced experimental methods can jointly accelerate materials innovation.

The workshop covered recent results from the European Union-funded projects ULTIMATE-I, BLESSED, and HIP-2d-QM, with a strong focus on fuel cells and functional materials, advanced atomistic and continuum simulations, and applications spanning spintronics, ferromagnetism, energy conversion, optics, and space technologies.

The scientific program highlighted the role of molecular dynamics, reactive force fields (ReaxFF), density functional theory, and discrete element methods in understanding complex material behavior. Topics included interactions of small molecules with graphene and MoS₂ nanonetworks, hydration-controlled transport in Nafion membranes, multiscale modeling of enzyme–substrate interactions, and degradation mechanisms in PEM fuel cell electrodes. Industrial perspectives were provided by Freudenberg Technology Innovation, demonstrating how digital modeling is increasingly embedded in materials and process development.

Beyond individual presentations, the workshop fostered open discussion on how simulation-driven insights can guide experiments, improve material design, and shorten development cycles. The interdisciplinary and international character of the meeting underlined the importance of close collaboration between academic institutions and industrial partners.

We thank all speakers and participants for their contributions and the lively scientific exchange. Events like this reinforce the value of integrating simulations and experiments to address current challenges in energy, functional materials, and advanced applications.

Scientific publication: “Ferroelectricity in graphene nanoribbon devices enabled by collective water molecule dynamics”

DOI: doi.org/10.1038/s41467-025-65922-6

Nature Communications, Volume 16, Article number: 10982 (2025)

9th Dec. 2025

Muhammad Awais Aslam, Igor Stanković,  Gennadiy Murastov,  Amy Carl,  Muhammad Zubair Khan, Zehao Song, Kenji Watanabe, Takashi Taniguchi, Alois Lugstein, Christian Teichert,  Roman Gorbachev, Raul D. Rodriguez & Aleksandar Matković 

All Open Access, Gold, Green Submitted

Zenodo

Outreach activities at INMA (UNIZAR)

Myriam Aguirre (ULTIMATE-I project Coordinator-UNIZAR) was visiting INIFTA LAB in La Plata-CONICET-National University of La Plata. On this occasion, Alejandra Borzi was awarded with the INMA gift for her participation in outreach activities during her stay research at the University of Zaragoza.

In addition to Alejandra Borzi, other INMA members (Tatiana Escalante, Ana Carolina Moreno Maldonado, Miguel Rengifo, etc.) have participated in various outreach activities, including visits to primary schools, secondary schools, etc., where they also promoted the ULTIMATE-I, MELON and NESTOR projects (all of which are RISE projects) and NEMERFEC project (MSCA project).