In recent years there has been an increased interest in real-space numerical methods for electronic structure calculations, such as wavelets, multiwavelets, finite field, and finite difference methods. Their development is now spreading to a growing variety of applications.
The main purpose of the Numerical Methods in Quantum Chemistry (NMQC) workshop is to bring together researchers who either made significant contributions to the field, or work within areas that are of interest for applying such methods. We hope that the NMQC workshop will stimulate discussions on open problems, and new ideas and that it will promote novel collaborations.
With an eye on the numerical methods perspective, the main themes of the workshop will be:
- Molecular properties
- Relativity
- Correlated methods
- Large systems
- Computing, algorithms, architectures
- Time propagation
- Quantum computing and machine learning
Details regarding the NMQC workshop can be found on the workshop website.