Přehled
Doctoral studies are organized by the Department of Physical and Macromolecular Chemistry in collaboration with the Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and J. Heyrovský Institute of Physical Chemistry of the Czech Academy of Sciences. The program covers computational chemistry, quantum chemistry, and molecular modeling, focusing on biomacromolecules and complex molecular systems. Projects include studying the structure and dynamics of DNA, DNA-protein and DNA-ligand interactions, non-covalent interactions, stabilizing interactions in biomolecules, chemical reactivity and catalysis, physical and chemical properties of molecular networks, and processes on atmospheric aerosols. The program reflects modern trends in computational chemistry and molecular modeling.
Start of studies in the winter semester (October)
Opening of applications and publication of the dissertation topics: 15. 2. 2026
Application by: 30. 4. 2026
Detailed description of the programme
Offer of dissertation topics:
- Ab Initio Prediction of Protein Structure: Viewing Protein Folding as an Intramolecular Solvation Problem
- Ab-initio Ultrafast Femto- and Attosecond Dynamics in Molecules and Materials under Symmetry-Broken Light Fields
- Computational Design of Ligands for Radiotherapy
- Developing machine learning tools for reactive atomistic material modelling
- Development and testing of force fields for biomolecular simulations
- Development of the spectroscopy of Raman optical activity
- How Glycan Architecture Governs Biomolecule Selectivity in the Glycocalyx
- Interactions of topical ophthalmic drug nanodelivery systems with the eye studied using physicochemical and biophysical methods
- Machine-Learning-Driven Modelling of Zeolite Synthesis
- ML-assisted design and characterization of oxide-supported metal nano-catalysts
- Modeling of structure and reactivity of solvated electrons
- Modelling of Phase coexistence in charged macromolecular and colloidal systems
- Molecular Design of New (Metallo- and Xeno-)Peptidic Frameworks for Biocatalysis
- Operando Modelling of porous catalytic nanomaterials via machine learning
- Theoretical study of energy coupling in redox reactions of biological and biomimetic models
Profile of the graduate
This Ph.D. program is an interdisciplinary study combining physical chemistry, biochemistry, and material science with the modern tools of molecular modelling. Graduates are able to solve problems in the structural and dynamical aspects of complex systems using state-of-the-art tools of computational chemistry; they are also capable of writing reports and papers in scientific journals. Graduates have presented their results at international conferences, and have experience with the preparation of grant proposals. They will be useful in various areas of science, including: materials engineering, pharmaceutical research, molecular biology, biotechnology and/or catalysis. Graduates will find positions in applied research both in the private sector and in academia.
Application submission
The application is submitted electronically through the Charles University study information system. The completed application must be submitted electronically in the study information system no later than on 30. 4. 2026 for study programmes starting in the winter semester (October) and no later than on 15. 12. 2025 for study programmes starting in the summer semester (April).
The admission fee is 100 EUR and it is paid for each submitted application.
Required application appendice is the agreement of a supervisor in the format of the following form available here. We recommend reaching out to the supervisor as soon as possible (ideally before 31. 3. 2026 for study programmes starting in the winter semester and before 30. 11. 2025 for study programmes starting in the summer semester), so the application could be send out in time in case the agreement is granted.
Entrance exam
The regular date of entrance exam for all doctoral programmes starting in the winter semester (October) is in June 2026 (to be specified), an alternative date is in June 2026 (to be specified).
The regular date of entrance exam for all doctoral programmes starting in the summer semester (April) is 4. – 5. 2. 2026, an alternative date is 11. – 12. 2. 2026.
The request for an alternative day is submitted and approved via the electronic information system.
The form of the entrance exam is an oral interview, which mainly concerns the issues of the planned dissertation and the candidate’s knowledge within the field of expertise of the given study programme.
Find more information in:
- Conditions of the admission procedure for doctoral study programmes at the Faculty of Science, Charles University, for study programmes starting in the winter semester (October)
or - Conditions of the admission procedure for doctoral study programmes at the Faculty of Science, Charles University, for study programmes starting in the summer semester (April).
Important links
Applicants with specific needs
If you have a physical handicap, you can apply for a modification of the entrance exam. For more information read the Conditions of the admission procedure for doctoral study programmes.
Departments involved in this programme
Guarantor of the study programme
prof. RNDr. Miroslav Štěpánek, Ph.D.
miroslav.stepanek@natur.cuni.cz
Do you have a question?
Complete information about the admission procedure can be found on the website for applicants. For questions, please contact the admissions contact persons.
