Submission still open until Monday the 9th!
Dear all,
we warmly invite you to submit oral and poster contributions for the "Symposium F: Advanced interoperability in atomistic simulations of materials"
https://www.european-mrs.com/advanced-interoperability-atomistic-simulations-materials-emrs
within the European Materials Research Society 2025 Fall Meeting, which will take place from September 15 to 18, 2025 at the main campus of the University of Technology in Warsaw (Poland).
The symposium will focus on the recent developments of atomistic theories and their software implementation to study properties of advanced materials. Particular emphasis will be made on synergistic investigations involving experimental, materials informatics, and computational approaches, which can provide fundamental understanding of material phases as well as new insights necessary to guide and accelerate the search for novel materials with targeted functionalities.
The symposium will be a unique opportunity to bring together computational researchers from various communities (physicists, chemists, engineers, computational and materials informatics scientists) who could pave the way to a new generation of functional materials.
Hot topics covered by the symposium:
- Construction of phase diagrams & search for new phases
- Excited states
- Second principles calculations
- Electron-phonon and phonon-phonon coupling
- Temperature-dependent properties
- Disordered crystals
- Superconductivity, magnetic interactions and magnetic materials
- Strongly-correlated electrons
- Topological effects (for electrons & phonons)
- High-throughput simulations, machine learning and structure/property databases
Confirmed invited speakers:
- Atsushi Togo (National Institute for Materials Science, Tsukuba, Japan): "Phonon calculations, related properties and materials discovery"
- Jesus Carrete (INMA-CSIC, Spain): "Accelerating lattice-dynamical calculations with machine-learning technologies"
- Pablo García-Fernández (Univ. Cantabria, Spain): "Materials simulation with Second Principles: Polar skyrmions, optical properties and polaron mobility"
- Myrta Gruning (Queen’s University of Belfast, Northern Ireland): "Calculations of non-linear optical properties within the yambo codes"
- Nakib Protik (Humboldt Univ. Berlin, Germany): "Efficient and ab initio computation of electron and phonon transport properties using elphbolt: new physical features and numerical improvements"
- Milica Todorvic, (University of Turku, Turkey): "Materials discovery and IA"
- He Xu (Liege Univ., Belgium): "Computing magnetic interaction parameters from DFT results with TB2J"
- Xing Wang (PSI, Switzerland): "New functionalites of AiiDA infrastructure"
- Zeila Zanolli (Utrecht University, Netherlands): "Superconducting DFT in the SIESTA method and code"
Submission deadline: 2 June 2025
We look forward to your contributions and to fruitful discussions!
On behalf of the symposium organisers,
Antonio Cammarata, Czech Technical University in Prague, Czech Republic;
Miguel Pruneda, CSIC-CINN, and CSIC-ICN2, Spain;
Roberta Poloni, CNRS, UGA SIMaP, France.