Psi-k 2022 Conference

Symposium on Industry-Targeted Electronic Structure Calculations and Molecular Modeling (C12)

Psi-k 2022 conference is the largest worldwide conference in electronic structure, attracting more than 1000 participants. Symposium "C12: Electronic structure calculations and molecular modeling in industry" as part of Psi-k 2022 will provide a forum to identify how catalyst, polymer, glass, semiconductor, and other industries apply electronic structure and molecular modeling methods and which problems and challenges they encounter. The symposium aims to stimulate transfer of knowledge and the latest state-of-the-art electronic structure methods developed in academia to industry, i.e., increase collaboration between industry and academia in developing and using these methods. 

Symposium Abstract Submission

Talks & Posters

Contributions are welcomed from

  • Engineers in industry
  • Academic researchers working on industry-relevant projects


  • Catalysis, batteries, and solar cells
  • Semiconductors and electronics
  • Polymers, glasses, metals, ceramics

Invited speakers to C12 symposium

  • Blanka Magyari-Kope, TSMC (TBC) 
  • Ansgar Schaefer, BASF 
  • Benedikt Ziebarth, Schott 

Dates, Venue & Organizers

Psi-k 2022 conference dates: Aug 22 - 25, 2022

C12 symposium date: Aug 24, 2022 (Wednesday)

Venue: SwissTech Convention Center, EPFL, Lausanne (Switzerland)

C12 symposium abstract submission deadlines

  • Contributed oral presentations: May 31, 2022 
  • Posters: June 30, 2022

C12 symposium organizers

  • Umberto Martinez (chair), Synopsys QuantumATK
  • Jan Hamaekers, Fraunhofer SCAI 
  • Jose Gamez, Covestro
  • Geoffrey Pourtois, Imec

Benefits of Attending & Presenting at the Symposium

Researchers Engineers from Industry

Researchers/Engineers from Industry

  • Discover new state-of-the-art methods and workflows to accelerate R&D of your products
  • Get visibility of your company and your R&D team
  • Attract talents from the largest worldwide conference in electronic structure, attended by more than 1000 participants

Academic Researchers

  • Get an updated overview of problems and challenges encountered by industry
  • Get visibility of your research and developed computational methods
  • Establish new collaborations with industry

Synopsys QuantumATK

Synopsys QuantumATK offers a comprehensive suite of industry-leading tools for large-scale and thus more realistic electronic structure calculations, molecular modeling of materials, as well as a powerful graphical user interface (GUI) driven simulation environment. QuantumATK enables synergistic materials modeling with multiple atomistic methods, ranging from ab initio DFT to semi-empirical and classical force fields, implemented and fully integrated in one single platform to meet the industrial requirements of usability and efficiency.