Welcome to the Computational Carbon Chemistry (CCC) group led by Dr. Ganna (Anya) Gryn'ova, Associate Professor of Computational Chemistry at the School of Chemistry, University of Birmingham, UK.
The CCC group uses theoretical and computational chemistry, physics, and materials science in combination with chemical machine learning to explore and exploit diverse functional organic and hybrid materials and molecules. We are particularly interested in several classes of materials: graphene-based materials (GBMs), covalent-organic frameworks (COFs), and hyperbranched polymers (HBPs) – in the context of their applications in capture, storage, transport, and/or catalytic transformations of therapeutic molecules and environmental pollutants. Functional organic molecules and materials are central to our research efforts
If you are interested in joining the CCC group, please check the JOBS page for open positions and external funding opportunities.
The CCC group uses theoretical and computational chemistry, physics, and materials science in combination with chemical machine learning to explore and exploit diverse functional organic and hybrid materials and molecules. We are particularly interested in several classes of materials: graphene-based materials (GBMs), covalent-organic frameworks (COFs), and hyperbranched polymers (HBPs) – in the context of their applications in capture, storage, transport, and/or catalytic transformations of therapeutic molecules and environmental pollutants. Functional organic molecules and materials are central to our research efforts
- to establish the role of topology in materials chemistry,
- to predict emergent properties in complex compounds and in molecule-material complexes from their individual components / building blocks / fragments, and
- to develop explainable AI tools for exploring the infinite chemical space rationally and efficiently.
If you are interested in joining the CCC group, please check the JOBS page for open positions and external funding opportunities.
Announcements
Join us in Heidelberg this May at two exciting meetings:
- The 2nd SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling” on May 15-17, and
- The Chemical Compound Space Conference 2024 (CCSC2024) co-organised by Anya on May 21-24!
News
April 8, 2024
April 1, 2024
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Congratulations to Rostislav on receiving the Isabel Rojas Travel Award from HITS!
After 5 fantastic years at the Heidelberg Institute for Theoretical Studies, CCC moves to UoB!
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