Modern Wavefunction Based Methods in Electronic Structure Theory

About

The Summer School "Modern Wavefunction Based Methods in Electronic Structure Theory" (MWM25) is directed towards highly motivated PhD students and postdocs who want to deepen their knowledge in the field of ab initio electronic structure theory.

In the recent past, wavefunction based ab initio methods have received revived interest in the theoretical chemistry community. It is generally recognized that these methods provide a systematic, accurate and transparent route towards solving the molecular Schrödinger equation to high precision. For a long time the high computational cost that is characteristic of these methods has precluded their large-scale application in chemistry. However, modern algorithms, modern hardware and reduced scaling approaches have drastically changed this situation and led to a widespread use of wavefunction based methods in computational chemistry.
The physical basis of wavefunction based methods involves an elaborate apparatus of advanced mathematical and physical concepts that is frequently beyond a typical university curriculum. Hence, in order to be able to do research in this field, it is necessary that young researchers get familiar with these concepts. The MWM25 school is aiming at filling this gap by providing lectures and tutorials that are designed to introduce the students to the advanced concepts of ab initio electronic structure theory. Furthermore, the school will provide ample opportunity for discussion between the participants, teachers and tutors in which specialized and research-oriented questions can be addressed.

The school is at its fourth edition, the first two editions (2016 and 2018) having been held in Gelsenkirchen, Germany, and the third in Pisa, at the department of Chemistry and Industrial Chemistry of the University.

The Summer School will be held on campus in Pisa, in Pisa, at Centro Congressi Le Benedettine, Piazza San Paolo a Ripa D'Arno, 16.

Course leader

Prof. Filippo Lipparini

Target group

PhD Students, Postdocs.
Exceptionally, highly motivated Master's Degree students can also be considered.

Course aim

The Summer School "Modern Wavefunction Based Methods in Electronic Structure Theory" (MWM25) aims at providing an overview of the main ab-initio theoretical methods in moder quantum chemistry.
The school covers the following topics with lectures from leading experts in the field:

- Mathematical foundations of Quantum Chemistry
- Second Quantization
- Algorithm Design
- Coupled Cluster Theory (Ground States)
- Coupled Cluster Theory (Equation of Motion)
- Derivative Techniques
- Magnetic Properties
- Multiconfigurational Self-Consistent Field
- Multireference Dynamic Correlation Methods
- Relativistic Quantum Chemistry
- Modern approaches to electron correlation (DMRG, Stochasticnapproaches, …)
- Local Correlation Approaches
- Resonance States

The school further offers tutorials on a selection of topics, where the students are divided in small groups, each led by a tutor, and given various exercises that aim at giving them a more practical overview of such topics.

Two poster sessions and two Clinic sections are also organized, to give the students the possibility of interacting among themselves and with the lecturers and tutors in a more informal environment.

Fee info