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Hydrofunctionalizations of alkenes and alkynes—among the most important examples of which are hydrocyanation and hydroformylation—are processes of tremendous industrial importance, enabling the synthesis of pharmaceuticals, polymers, and functional materials. One of the fundamental limitations of these reactions is the lack of precise control over selectivity. This leads to the formation of product mixtures, including regio- and stereoisomers as well as isomerization products, which is particularly significant for unsymmetrical substrates. These issues arise mainly from the limitations of established catalysts based on transition-metal complexes (Ni, Rh) supported by symmetrically constructed phosphine ligands, which do not provide adequate selectivity control. This project aims to develop a new, holistic approach to controlling selectivity in hydrocyanation and hydroformylation, based on the use of desymmetrized phosphine ligands and advanced artificial intelligence methods. The planned strategy relies on the synthesis of a broad library of new catalysts (>100) with diverse structures and the evaluation of their catalytic performance in both processes (>1000 substrate–catalyst–conditions combinations). The resulting experimental dataset on catalyst activity (TON, TOF) and selectivity will be used to develop predictive machine-learning models that enable accurate in silico identification of optimal catalyst–substrate–conditions combinations and the design of new, more selective catalysts. This will substantially reduce the time required to develop catalysts with the desired selectivity and will lower experimental costs in future practical applications. The proposed approach has the potential to significantly improve industrial processes, leading to more sustainable and economically efficient technologies for the production of high value-added compounds.

• Preparation of a catalyst/ligand library and comprehensive structural characterization
• Evaluation of catalyst properties across a broad range of substrate–catalyst–conditions combinations, with particular emphasis on the hydrocyanation reaction
• Analysis of catalytic reaction outcomes and identification of key selectivity-determining parameters
• Mechanistic investigations (e.g., kinetic and spectroscopic studies) to rationalize activity and selectivity trends
• Curation, standardization, and quality control of experimental datasets
• Preparation of reports, presentation of results, and dissemination (conference presentations, manuscripts

• a post-doctoral position (full-time employment) in the Institute of Physical Chemistry PAS with a gross salary around 13 230 PLN per month financed from FIRST TEAM FENG No. FENG.02.02-IP.05-0063/25 project, which is financed from the funds of Priority 2 of the European Funds for a Smart Economy 2021–2027 Program (FENG) Action 2.2 First Team, with the Intermediate Institution being the Foundation for Polish Science.100% of the work time of Postdoc will be devoted to the realization of the proposed project. The offer is for 24   months. A 3‑month probation period applies; upon a positive performance evaluation, the contract will first be extended to 12 months and ultimately to 24 months within the project.
• the opportunity to work in an interdisciplinary, international research team
• engagement into an ambitious research program and possibility to build the academic career

The selected candidate will join a highly experienced, multidisciplinary team working at the interface of catalysis, organic synthesis, and data-driven chemistry. They will have the opportunity to develop advanced experimental expertise in the area of hydrofunctionalization reactions (including catalyst/ligand library synthesis, catalytic screening, and mechanistic studies). The project will enable them to address selectivity challenges of direct industrial relevance and contribute to more sustainable, economically efficient catalytic technologies.

The successful candidate will be eligible for all programs at the IPC PAS, including the IPC PAS Young Scientists competition and the IPC PAS Young Scientists Mobility competition.

Institute provides an opportunity to participate in ERASMUS+ programme.

According to the competition documentation, a person who, in the year the competition for this position is announced, has held a doctoral degree for no longer than seven years (counting from the year following the year of obtaining the degree) or obtains it no later than the date of commencement of employment on the project. This period is extended by one year for each born or adopted child for women and by one year for each child for men, provided there has been a break in employment of at least six months. Furthermore, a one-year extension is available, regardless of gender, in the event of a break in research for other reasons lasting at least six months.

A PhD degree in chemistry (or a closely related discipline) is required. Experience in organic synthesis and catalysis is also required.

The candidate is expected to be highly motivated for scientific work, capable of independent problem solving, able to work effectively in a team, and systematic and reliable in conducting experiments. Good command of English sufficient for reading and understanding scientific literature is required.

The committee will consider the following criteria:

• Competence to carry out specific tasks in the research project
• Previous scientific achievements
• Fluency in English