25 September 2024
MaX sponsoring the 11th International Conference on Multiscale Materials Modeling (MMM-11)
Held in Prague, Czech Republic, between 22-27 September 2024, the International Conference on Multiscale Materials Modeling (MMM) was a unique opportunity for researchers from academia, national laboratories, and industrial research facilities worldwide to exchange latest advancements on interdisciplinary research fields in materials science and engineering.
Organised by the Institute of Physics of Materials of the Czech Academy of Sciences, the conference attracted around 800 participants from across the globe to discuss both traditional and emerging topics including hard and soft materials, biomechanics, mathematics, machine learning, and computational sciences.
The 2024 edition featured MaX among its sponsors and a talk given by MaX partner Pablo Ordejón (ICN2) titled“QM/MM simulations of the electrochemical interface”. In his talk, Ordejón described a method using Non-Equilibrium Green's Functions to carry out Density Functional Theory (DFT) simulations with the MaX lighthouse code SIESTA.
« Understanding the interface between electrolytes and electrified metallic surfaces is essential for many technological applications, but still poses important scientific challenges. Computer simulations could help solve these challenges, but the complexity of the interface, the presence of the electrode's potential, and the very long time scales involved don’t make the task easy, » explained Pablo Ordejón (ICN2). « By applying some multiscale approaches, such as a hybrid quantum mechanics/molecular mechanics approach, we could reach longer time scales in our DFT simulations » concluded Ordejón.
Being the largest event integrating interdisciplinary fields inherent to complex material systems, the conference was the opportunity for MaX to interact not only with other researchers in the field, but also with relevant industry and business stakeholders and expand MaX research findings beyond the boundaries of the academic community.
Art exhibitions, theatre performances, concerts… After the sessions at MMM-11, attendees could enjoy some cultural exploration – and Prague has plenty to offer!
Further information about the keynote lectures and contributed talks are available in the conference programme.