Doctoral Candidate (CeNT-26-2026)

Description

CeNT-26-2026 Director of Centre of New Technologies of the University of Warsaw, with the Project Leader, announce opening of the competition for the position of PhD Student in the Chemical and Biological Systems Simulation Lab– Centre of New Technologies of the University of Warsaw. JOB OFFER Position in the project: PhD Student Laboratory: Chemical and Biological Systems Simulation Lab Scientific discipline: Chemical sciences

What we offer

• stipend

• Number of job offers:

• Remuneration/stipend amount/month:

• 5500 PLN gross gross

• Position starts on:

• 01/09/2026 or soon after

• Maximum period of contract/stipend agreement:

• 24 months with a possibility of extension up to 36 months

• Institution:

• Centre of New Technologies, University of Warsaw

• Project leader:

• Silvio Osella, PhD DSc

• Project title:

• Low-dimensional materials for solar fuels conversion and valorization (SOLAR2VAL)

• NCN programme:

• NCN SONATA BIS 13

• Project description:

• The goal of the project is to design stable and highly efficient hybrid nanomaterials for solar fuels generation, through an heterojunction structure in which absorption of light is followed by transfer of charges to the catalytic sites where the CO2RR and NRR take place to obtain ethanol, ethylene and ammonia as main products. The interface is based on low dimensional materials, focusing on 0D carbon dots, 2D layered materials and 2D catalysts such as 2D-MOFs and

• 2D-COFs.

• In this project we will use 1: multiscale computational methods to describe the chemical and physical properties of interfaces; 2: characterization of the charge transfer at the interfaces; 3: heterogeneous catalysis for CO2RR and NRR; 4: method development to compute the catalytic cycle in photo(electro)chemical environments.

• The computational part of the project will focus on 1. the rational design of low dimensional materials’ building blocks by means of ab initio computation to assess their opto-electronic properties. 2. Detailed study of the interfaces created by assembly of different low dimensional materials, using a multiscale computational approach to fully assess the opto-electronic properties of the different interfaces in order to optimize charge or energy transfer processes. 3. In deep study of the heterogeneous catalytic cycle to obtain the desired products from CO2RR and NRR.

• Key responsibilities include:

• MD simulations of low dimensional materials' assembly.

• Ab initio computation of absorption/emission properties of the constituents of the assembly.

• QM/MM calculations and analysis of opto-electronic and transport properties.

• Ab initio study on the heterogeneous catalytic cycle for the formation of solar fuels.

• Analyses of the collected data.

• Participation in preparation of scientific publications.

• Active participation in group activities (seminars, tutorials).

• Profile of candidates/requirements:

• The competition is open for persons who meet the conditions specified in the regulations on the allocation of resources for the implementation of tasks financed by NCN

• SONATA BIS 13.

• We are looking for motivated people who have:

• MSc degree in chemistry or related discipline. The MSc degree should be obtained before the date of starting work in the project.

• Confirmed status of a PhD student (on the date of starting work in the project at the latest).

• Other requirements:

• knowledge of quantum chemistry

• experience with quantum chemistry calculations (ab initio and classical molecular dynamics simulations)

• knowledge of simulation of low dimensional systems and experience with multiscale simulation approach (i.e. MD, CG,

• QM/MM, QM) is welcomed

• ability to work in a group (possibility to work on-line), curiosity and motivation to learn

• willingness to work in interdisciplinary and international teams

• fluency in written and spoken English

• Resolution of the NCN Council No. 50/2023 of 11 May 2023.

• In practice:

• we use quantum chemistry software – mainly Gromacs,

• Gaussian and VASP

• we do calculations on HPC clusters (Unix, Linux environments),

• we write our own scripts and software (mostly in Python, bash, Fortran) for data analysis

• The willingness to work in such an environment is expected.

Recruitment process

• Cover letter

• Current curriculum vitae

• Copy of MSc certificate (or, if the MSc certificate has not been obtained yet, a certificate/document about the date of

• MSc defense);

• Document confirming the status of PhD Student (to be provided before employment in the project);

• At least two reference contacts (with phone numbers and emails)

• Before entering the competition, candidates are obliged to familiarise themselves with Internal Reporting Procedure.

• 15/07/2026

• Date of announcing the results:

• 20/07/2026

• Method of notification about the results: e-mail, CeNT UW website

Słowa kluczowe

• Computation

• biological assemblies

• spectroscopies

• drug delivery