Here we bring the topics overview. Below the overview there are annotations and names of academic supervisor(s), their university/department and project assignments to research area(s) from five key domains in The Parc: Solid state chemistry, Preformulation and solid state analysis, Drug design and process, Biopharmacy and Preclinical in vivo testing. For more information on a specific Ph.D. project, you can contact us at info@theparc.eu or you can contact the academic supervisor directly (find email below each project description).
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PhD topics overview
1/ From Crystal Structure to Particle Surface Properties: Predicting Dissolution, Stability, and Powder Performance of Pharmaceutical Solids
2/ Surface Energy Heterogeneity of Particulate Matter
3/ Kinetic, thermodynamic and structural aspects of forming solid dispersions of high-melting drugs
4/ Utilization of inter-and intra-molecular interactions in modelling of drug-polymer systems
5/ Modeling of drug release from the solid dispersions by diffusion-erosion models
6/ Experimental and CFD characterization of drug particle suspensions
7/ Modelling of characterization of particle flow properties
8/ Formulation strategies for ceramide-based cancer therapy
9/ Study of the skin barrier formation and the possibilities of its restoration at the molecular level
10/ Development of advanced formulations for topical drug delivery
11/ High-throughput robotic screening of powder formulations: flowability and compressibility limits
12/ Disintegration and dissolution of tablet fragments
13/ Oral delivery of peptides: rational comparison of formulation approaches
14/ Fast modular manufacturing of combination drug products
15/ Formulations based on “embedded” sub-microns API particles for fine tuning drug-release profiles
16/ Testing of inhaled drugs in preclinical models of pneumonia and pulmonary fibrosis
17/ Development of methodology and application of Real World Evidence (RWE) in clinical practice and pharmaceutical research
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1/ From Crystal Structure to Particle Surface Properties: Predicting Dissolution, Stability, and Powder Performance of Pharmaceutical Solids
In pharmaceutical development, the performance of an active pharmaceutical ingredient (API) often depends not only on its chemical structure but also on its solid-state form and particle properties. Differences between polymorphs, salts, or cocrystals can strongly influence key attributes such as dissolution rate, physical stability, chemical degradation, and powder processability. However, these differences are typically identified empirically during solid-form screening and formulation development, without a clear mechanistic understanding of their origin. This project aims to develop a structure-based framework that explains and predicts important solid-state properties of drug substances directly from their crystal structures. Particular attention will be given to the molecular structure of crystal surfaces, which determine how drug particles interact with water, excipients, and with each other. These particle surface properties play a central role in processes such as dissolution, moisture sensitivity, degradation, and powder flow. Selected pharmaceutical solid forms (e.g., polymorphs, salts, or cocrystals) will be prepared and structurally characterized. Using the obtained crystal structures, the student will analyse the chemical composition and interaction potential of particle surfaces, including the exposure of functional groups, hydrogen-bonding sites, and hydrophilic or hydrophobic regions. These surface characteristics will then be correlated with experimentally measured properties such as dissolution rate, stability under temperature or humidity stress, and chemical degradation behaviour. In addition, the project will investigate how particle surface properties influence powder performance, including flowability and compressibility, which are critical for downstream pharmaceutical processing. The goal of the project is to demonstrate how crystal-structure information can be translated into practical insight for solid-state pharmaceutical development, helping to explain why different solid forms behave differently and providing guidance for the selection and optimization of drug substances during development.
Supervisor prof. Ing. Miroslav Šoóš, Ph.D. (Miroslav.Soos@vscht.cz)
University University of Chemistry and Technology, Department of Chemical Engineering
Parc area Solid state chemistry/Biopharmacy
2/ Surface Energy Heterogeneity of Particulate Matter
Free surface energy is one of the important parameters in industrial applications and processes of powder and fibrous materials. Differences in surface energy affect interfacial interactions such as wetting, cohesion, or adhesion. As the wide range of uses of powders is controlled by surface reactions or interactions, the characterization of surface energies can be important information for improving surface properties (eg surface modification). General theories can only be applied to smooth, molecularly flat solid surfaces or particles. However, most interfaces for particulate matter do not have an ideally smooth surface or an ideally homogenized surface, so the work will focus on determining the heterogeneity of surface properties; heterogeneity of surface energy, and its relation to other properties of these substances.
Supervisor Ing. Jan Patera, Ph.D. (Jan.Patera@vscht.cz)
University University of Chemistry and Technology, Department of Organic Technology
Parc area Preformulation and solid state analysis
3/ Kinetic, thermodynamic and structural aspects of forming solid dispersions of high-melting drugs
High melting point drugs present a challenge in the formulation of amorphous solid dispersions, e.g. solid solutions with polymers, because the chemical stability of both the drug and the polymer makes it impossible to safely reach the eutectic melt formation temperature. Thus, solid dispersions are essentially formed by dissolving solid drug in the polymer melt, which creates both residence time and mixing requirements in the molten state, as well as requirements for compatibility of drugs and coformers to prevent undesired crystallization of the drug in the finished product. Therefore, this work will focus on the evaluation of compatibility of drugs and coformers by computational and experimental methods, stability of dispersions as a function of their composition and kinetics of drug dissolution in polymer melt. This main axis will be complemented by the study of the application properties of the formulations prepared with the possible support of an industrial partner. The work assumes a significant contribution to supervision from FHNW Basel.
Supervisor prof. Ing. Petr Zámostný, Ph.D. (Petr.Zamostny@vscht.cz)
University University of Chemistry and Technology, Department of Organic Technology
Parc area Preformulation and solid state analysis/Drug design and process
4/ Utilization of inter-and intra-molecular interactions in modelling of drug-polymer systems
Interparticle interactions play a crucial role in a wide range of pharmaceutical processes, including micelle formation, nanoparticle stabilization during antisolvent precipitation, stabilization of drug molecules in supersaturated solutions during dissolution, and the selection of appropriate polymers for preparing amorphous solid dispersions. In this thesis, we aim to address these challenges using quantum‑mechanical methods and all‑atom molecular dynamics simulations.
The first system to be studied will focus on identifying suitable polymers for preparing an amorphous solid solution (ASS) with a selected drug, with the goal of maximizing long‑term stability. Additionally, we plan to investigate the interactions between these polymers and the drug in aqueous environments to enhance drug solubility and prevent precipitation from supersaturated solutions.
The second system will involve surfactant molecules—both synthetic and natural—in water. Here, we will examine how surfactant concentration, hydrophilic and hydrophobic chain length, ionic strength, and temperature influence the formation of micelles or surfactant coils. Special attention will be given to systems containing drug molecules, where the objective is to understand drug solubilization within surfactant micelles.
The simulation results will be compared with available experimental data, such as drug solubility in polymers, the time evolution of drug concentration in supersaturated polymer‑stabilized solutions, and permeation measurements in the presence of surfactants and polymers.
The computational workflow will begin with quantum‑chemical calculations of the COSMO‑SAC type, providing a fast qualitative estimate of Hansen solubility parameters and enabling initial screening of suitable polymers. Subsequently, molecular dynamics simulations will be employed to model polymer–drug affinity in realistic system configurations, ideally informed by key experimental observations.
Supervisor prof. Ing. Miroslav Šoóš, Ph.D. (Miroslav.Soos@vscht.cz)
University University of Chemistry and Technology, Department of Chemical Engineering
Parc area Biopharmacy
5/ Modeling of drug release from the solid dispersions by diffusion-erosion models
This dissertation focuses on the mechanistic modeling of drug release from solid dosage forms containing solid dispersions. Such formulations exhibit a well-defined internal structure, enabling drug dissolution to be investigated not only through conventional dissolution testing but also via apparent intrinsic dissolution measurements.
During dissolution, multiple moving fronts may develop within these systems, corresponding to liquid penetration, drug dissolution and leaching, and erosion of the residual matrix. The interplay of these phenomena governs the overall release kinetics. These processes can be quantitatively described using diffusion–erosion models, which enable identification of the rate-controlling steps and estimation of characteristic kinetic parameters.
Furthermore, disintegration kinetics will be incorporated into the modeling framework to account for dynamic changes in specific surface area resulting from fragment formation during tablet disintegration. Integrating disintegration behavior with diffusion–erosion mechanisms will allow development of a partially or fully predictive model capable of describing the dissolution profile of a disintegrating tablet based on its disintegration kinetics and the physicochemical properties of the solid dispersion system.
The ultimate goal of this work is to establish a mechanistically grounded and predictive modeling framework that enables rational optimization of solid dosage form design in order to achieve a desired dissolution profile.
Supervisor prof. Ing. Petr Zámostný, Ph.D. (Petr.Zamostny@vscht.cz)
University University of Chemistry and Technology, Department of Organic Technology
Parc area Biopharmacy/Preformulation and solid state analysis
6/ Experimental and CFD characterization of drug particle suspensions
The administration of drugs in the form of liquid suspensions is essential for several patient groups, including children, seniors, and individuals who have difficulty swallowing tablets. These suspensions typically exhibit shear‑thinning, non‑Newtonian behavior, meaning their viscosity decreases as the shear rate increases.
In this project, we aim to study how the rheological properties of such suspensions influence their blending (i.e., mixing time), pumping (i.e., filling and emptying of application syringes), and overall stability with respect to aggregation and phase separation. The student will participate in the experimental characterization of suspension rheology as a function of composition, including the type and concentration of viscosity‑modifying agents; the size, shape, and amount of drug particles; and the applied shear rate.
In parallel, the experimentally determined viscosity data will be combined with computational fluid dynamics (CFD) simulations to predict the blending process, particularly the homogenization time of particles and tracer materials. The predictions generated by the CFD model will be validated against blending experiments performed at small scale, using various stirring systems operated at different agitation speeds.
In the final stage of the project, the student will contribute to scaling the process from laboratory scale to production scale (with working volumes of several cubic meters). Finally, we will also investigate, from both experimental and computational perspectives, the process of charging and discharging syringes with these suspensions.
Supervisor prof. Ing. Miroslav Šoóš, Ph.D. (Miroslav.Soos@vscht.cz)
University University of Chemistry and Technology, Department of Chemical Engineering
Parc area Drug design and processes
7/ Modelling of characterization of particle flow properties
Processes such as hot‑melt extrusion (HME) and twin‑screw melt granulation (TSMG) are widely used in the pharmaceutical industry to continuously produce high value‑added products. In HME, a powdered mixture containing the drug and an appropriate polymer is processed to form an amorphous solid dispersion with improved drug solubility. In contrast, the TSMG process uses a molten polymer as a binder to convert fine drug powders into larger, more manageable granules.
In both cases, powdered materials—exposed to elevated temperatures and shear forces—undergo partial or complete transformation from the crystalline to the amorphous state. Optimization of these processes is often based on a trial‑and‑error approach due to the complex interactions between processing conditions (e.g., temperature, shear profile, feed rate, and residence‑time distribution) and material attributes (drug–polymer compatibility, particle‑surface properties, particle‑size distribution, shape, and others).
The main goal of this project is to extend our experimental work by integrating modelling approaches to better predict powder behavior during feeding and processing. By combining particle‑level surface‑property characterization with discrete element method (DEM) simulations, we aim to model powder flow in the early stages of HME and during TSMG. Particle contact mechanics (e.g., parameter of the JKR particle adhesion model) will be adjusted according to the process conditions—particularly based on the temperature profiles—to reflect increasing adhesion between polymer and drug particles.
For HME, DEM simulations of the initial section of the extruder will be coupled with computational fluid dynamics (CFD) simulations of the molten material in the downstream section, incorporating experimentally measured rheological properties. This multiscale modelling approach will allow us to simulate both HME and TSMG and evaluate how operating parameters (e.g., screw speed, temperature settings, screw configuration) influence final material characteristics such as homogeneity.
Simulation outcomes will be combined with experimental data collected by other PhD students to develop a comprehensive 3D model of both TSMG and HME processes. Once established, this model will support scale‑up to pilot‑scale equipment, where simulation predictions will be validated against experimental runs. In the final project stage, the model will be used to characterize shear‑stress distribution along the extruder barrel, barrel‑filling behavior, material homogeneity, and other key process indicators.
Supervisor prof. Ing. Miroslav Šoóš, Ph.D. (Miroslav.Soos@vscht.cz)
University University of Chemistry and Technology, Department of Chemical Engineering
Parc area Biopharmacy
8/ Formulation strategies for ceramide-based cancer therapy
Ceramides are bioactive lipids with well-documented anticancer effects; however, their therapeutic application is limited by unfavorable physicochemical properties. The aim of this work is to propose suitable formulation strategies to improve the stability, bioavailability, and targeting of ceramides to tumor tissue. The prepared systems and their interactions with biological membranes will be characterized from a biophysical perspective. In addition, the study will include an evaluation of the in vitro biological activity of the developed systems and their potential for further pharmaceutical development.
Supervisor doc. Dr. Jarmila Zbytovská (Jarmila.Zbytovska@vscht.cz)
University University of Chemistry and Technology, Department of Organic Technology
Parc area Biopharmacy
9/ Study of the skin barrier formation and the possibilities of its restoration at the molecular level
The molecular mechanisms of the formation of the intercellular lipid matrix, which is crucial for high quality skin barrier function, are still not well understood. This work will aim at unraveling these processes using biophysical techniques on model membranes (SAXS, FTIR, Raman spectroscopy, AFM, etc.), and membrane permeability will also be studied in this context. Based on these findings, the conditions for the design of topical lipid formulations capable of restoring the disrupted (diseased) skin lipid barrier will be defined.
Supervisor doc. Dr. Jarmila Zbytovská (Jarmila.Zbytovska@vscht.cz)
University University of Chemistry and Technology, Department of Organic Technology
Parc area Drug design and process
10/ Development of advanced formulations for topical drug delivery
Newly developed drugs often show problematic physicochemical profiles resulting in very low bioavailability whether oral or topical. The aim of this work will be to search for new formulation techniques to improve the bioavailability of selected compounds. Special attention will be paid to nanoparticle systems. The bioavailability to different tissue types (e.g. skin tissue or others) will be evaluated for the developed formulations. The main output of the project will be a comparison of the efficiency of nanostructured carriers and formulations based on other enhancement techniques.
Supervisor doc. Dr. Jarmila Zbytovská (Jarmila.Zbytovska@vscht.cz)
University University of Chemistry and Technology, Department of Organic Technology
Parc area Drug design and process
11/ High-throughput robotic screening of powder formulations: flowability and compressibility limits
Detailed description will be added soon.
Supervisor prof. Ing. František Štěpánek, Ph.D. (Frantisek.Stepanek@vscht.cz)
University University of Chemistry and Technology, Department of Chemical Engineering
Parc area Preformulation / Drug design and process
12/ Disintegration and dissolution of tablet fragments
Detailed description will be added soon.
Supervisor prof. Ing. František Štěpánek, Ph.D. (Frantisek.Stepanek@vscht.cz)
University University of Chemistry and Technology, Department of Chemical Engineering
Parc area Preformulation / Drug design and process
13/ Oral delivery of peptides: rational comparison of formulation approaches
Detailed description will be added soon.
Supervisor prof. Ing. František Štěpánek, Ph.D. (Frantisek.Stepanek@vscht.cz)
University University of Chemistry and Technology, Department of Chemical Engineering
Parc area Drug design and process
14/ Fast modular manufacturing of combination drug products
Detailed description will be added soon.
Supervisor prof. Ing. František Štěpánek, Ph.D. (Frantisek.Stepanek@vscht.cz)
University University of Chemistry and Technology, Department of Chemical Engineering
Parc area Drug design and process
15/ Formulations based on “embedded” sub-microns API particles for fine tuning drug-release profiles
Detailed description will be added soon.
Supervisor prof. Ing. František Štěpánek, Ph.D. (Frantisek.Stepanek@vscht.cz)
University University of Chemistry and Technology, Department of Chemical Engineering
Parc area Drug design and process
16/ Testing of inhaled drugs in preclinical models of pneumonia and pulmonary fibrosis
The aim of the study will be in vivo testing of pharmacokinetics of selected drugs administered by inhalation nebulization to healthy rats and rats with induced disease (pneumonia, pulmonary fibrosis). The effect of disease on the pharmacokinetics of the drugs administered in this way will be monitored using drug concentrations in serum and bronchoalveolar lavage. The study will also include in vitro testing of the particle size distribution of the inhaled product on the Next Generation Impactor, as well as monitoring of selected biomarkers relevant for the assessment of the pathological state of the disease using molecular biology methods (rt-PCR, Western blot, ELISA).
Supervisor doc. PharmDr. Martin Šíma, Ph.D. (martin.sima@lf1.cuni.cz)
University Charles University, First Faculty of Medicine, Institute of Pharmacology
Parc area Preclinical in-vivo testing
17/ Development of methodology and application of Real World Evidence (RWE) in clinical practice and pharmaceutical research
The study will focus on the development and implementation of the RWE methodology, which integrates data from real-world clinical practice to optimize healthcare decision-making and to support innovation in pharmaceutical research. The project includes:
- Analysis of available data sources (electronic health records, patient registries, data from insurance companies).
- Development of analytical methods for processing large datasets.
- Identification of appropriate clinical and epidemiological questions that can be addressed by RWE.
- Presentation of results with emphasis on the population impact of pharmacological treatment innovations.
Supervisor prof. MUDr. Ondřej Slanař, Ph.D. (ondrej.slanar@lf1.cuni.cz)
University Charles University, First Faculty of Medicine, Institute of Pharmacology
Parc area Preclinical in-vivo testing
March 17. 2026