Center for Computational Quantum Physics

CCQ’s mission is to develop the concepts, theories, algorithms and codes needed to solve the quantum many-body problem and to use the solutions to predict the behavior of materials and molecules of scientific and technological interest.

A new day is dawning for our ability to understand and control the behavior of materials and molecules, thanks to the combination of previously unimaginable theoretical concepts, improved computational capabilities and revolutionary developments in experimentation. Researchers at CCQ are developing the ideas, algorithms and codes that will take our understanding of the quantum mechanics of electrons in molecules and solids to a new level. CCQ is also an international focal point for computational materials science, hosting a lively array of meetings, workshops, conferences and visitor programs.

Research

Collaborative Work

Upcoming Events

March 2024
April 2024

Luigi Bonati: Combining machine learning and enhanced sampling methods to study catalytic processes at operando conditions: ammonia synthesis and decomposition on iron-based surfaces

Leadership

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