The MLQC4Dyn thematic program aims to explore the current and future contributions of machine learning (ML) and quantum computing (QC) in the field of quantum molecular dynamics (QMD). MLQC4Dyn will constitute a unique opportunity for the dialogue between specialists of conventional approaches for QMD and those in machine learning and quantum computing oriented toward QMDs. It will also include a tutorial (co-sponsored by CECAM), offering state-of-the-art training in QMD, ML, and QC to early-stage scientists, including PhD and postdoctoral researchers coming from the molecular dynamics community.
The discussions and presentations will address the challenges in both time-dependent and independent simulations of systems with ever-increasing complexity and how new methods based on ML and QC may contribute to QMD.
The main goals of the MLQC4Dyn Thematic Program are:
• Identify the major challenges in QMD
• Assess the current and future impact of ML and QC for QMD
• Discuss practical aspects, including software development and data availability
• Provide specialized training for PhD students and postdocs
The Thematic Program will start on September 5, 2022, and be held for four weeks. It will be structured in the following way:
- Week 1 (September 5 to 9): School on machine learning and quantum computing for quantum molecular dynamics (coorganized with CECAM).
- Week 2 (September 12 to 16): Thematic Program on Machine Learning for Quantum Molecular Dynamics.
- Week 3 (September 19 to 23): Thematic Program on Quantum Computing for Quantum Molecular Dynamics.
- Week 4 (September 26 to 30): Interdisciplinary topics and synthesis.
The MLQC4Dyn program will take place :
From September 5 to 9 at the CECAM, registration on the CECAM website https://www.cecam.org/workshop-details/1133
From September 12 to 30 at the Institut Pascal, registration on INDICO website