Postdoctoral Position: Quantum mechanical descriptors for pharmaceutical molecular property...

A postdoctoral position is available in the Chair for Theoretical Chemical Physics (TCP), led by Prof. Alexandre Tkatchenko in the Department of Physics and Materials Science (DPhyMS) at the University of Luxembourg (http://www.tcpunilu.com ). This research project is embedded within a strong collaboration between the TCP group and an internationally-leading pharmaceutical company.

DPhyMS at Uni.lu is a quickly growing physics department composed of 19 dynamic research groups, spanning the broad domain of condensed matter, molecular, and quantum physics. 

The applicant will investigate how to effectively incorporate quantum-mechanical properties into machine learning models to enrich the quality of molecular property predictions. The respective prediction goals can be so-called ADMET properties, i.e., absorption, distribution, metabolism, excretion, and toxicity of drugs and other organic molecules. The work is situated in the following two domains: On the one hand, the work concentrates on the application of molecular and quantum mechanical methods for the exploration of 3D structures (conformers) and electronic properties of them (e.g. dipole moment and polarizability). On the other hand, machine learning will be employed for accurate prediction of ADMET properties based on local and global descriptors for the compounds (e.g. inclusion of 3D structure and quantum chemical properties).

For more information contact: Prof. Dr. Alexandre Tkatchenko ([email protected] ).

We are looking for motivated, independent, and skilled scientists to join our group. As part of the TCP group, researchers will have ample opportunity to exchange ideas, transfer knowledge, and to pick up new expertise. Our publications (https://scholar.google.com/citations?user=o2t1Pv8AAAAJ&hl=en ) provide a perspective on our research directions.

The positions are open to strong applicants with backgrounds in physics, chemistry, computer science and/or multidisciplinary background.

• Contract Type: Fixed Term Contract 12 Month
• Starting date: As soon as possible
• Work Hours: Full Time 40.0 Hours per Week
• Location: Limpertsberg
• Job Reference: UOL05121 (DPHYMS)

The yearly gross salary for every Postdoctoral Researcher at the UL is EUR 77167 (full time)

Applications should include:

• Cv
• Motivation letter
• Contact data for two referees

Early application is highly encouraged, as the applications will be processed upon reception. Please apply ONLINE formally through the HR system. Applications by email will not be considered.

The University of Luxembourg embraces inclusion and diversity as key values. We are fully committed to removing any discriminatory barrier related to gender, and not only, in recruitment and career progression of our staff.

• Multilingual and international character. Modern institution with a personal atmosphere. Staff coming from 90 countries. Member of the “University of the Greater Region” (UniGR). 
• A modern and dynamic university. High-quality equipment. Close ties to the business world and to the Luxembourg labour market. A unique urban site with excellent infrastructure.
• A partner for society and industry. Cooperation with European institutions, innovative companies, the Financial Centre and with numerous non-academic partners such as ministries, local governments, associations, NGOs …

We offer an attractive working environment in one of the most enjoyable European cities (http://www.euraxess.lu ).

The University of Luxembourg is an international research university with a distinctly multilingual and interdisciplinary character. The University was founded in 2003 and counts more than 6,700 students and more than 2,000 employees from around the world. The University’s faculties and interdisciplinary centres focus on research in the areas of Computer Science and ICT Security, Materials Science, European and International Law, Finance and Financial Innovation, Education, Contemporary and Digital History. In addition, the University focuses on cross-disciplinary research in the areas of Data Modelling and Simulation as well as Health and System Biomedicine. Times Higher Education ranks the University of Luxembourg #3 worldwide for its “international outlook,” #20 in the Young University Ranking 2021 and among the top 250 universities worldwide.

The Faculty of Science, Technology and Medicine (FSTM) contributes multidisciplinary expertise in the fields of Mathematics, Physics, Engineering, Computer Science, Life Sciences and Medicine. Through its dual mission of teaching and research, the FSTM seeks to generate and disseminate knowledge and train new generations of responsible citizens, in order to better understand, explain and advance society and environment we live in.