Postdoctoral Position – Excited States Dynamics of TiO2 Nanostructures
Job position description
We are looking to appoint a motivated young researcher to work with Dr Ángel Morales-García and Prof. Francesc Illas on the project supported by AEI under the JIN Program entitled “Excited States Dynamics of TiO2 Nanostructures: Towards Engineering Enhanced Photocatalytic Activity Under Sunlight”.
Details:
A one-year postdoc position is available for a computational chemist or computational materials scientist.
The project aims at developing multiscale modeling to promote fundamental knowledge for an efficient development of novel photocatalysts “by design” through crystal facet engineering and enhance charge carrier kinetics through excited-state density functional theory. This will allow one to establish a bottom-up strategy to predict novel photoactive nanostructures from new and accurate excited-state descriptors.
The researcher will be an integral part of an interdisciplinary team headed by Dr Ángel Morales-García in the Department of Material Science and Physical Chemistry and the Institute of Theoretical and Computational Chemistry of the University of Barcelona (IQTCUB), a Maria de Maeztu Excellence Research Unit.
More than 90 researchers mainly experts in computational chemistry integrate the IQTC. The research activity carried out covers methods and computational tools development, application of several techniques of electronic structure and simulation to problems in materials science, the study of reactivity and reaction dynamics in chemical reactions as well as of biological systems and soft-matter. Some of their projects, like this one, combines experimental and theoretical chemistry.
Requirements:
The successful PhD candidate must have a background in theoretical and computational chemistry and knowledge in computational chemistry of excited states, and/or non-adiabatic molecular dynamics. Preference will be given to candidates with experience in using time-dependent density functional theory (TDDFT) to investigate the excited states in photoactive nanostructures. Expertise in using supercomputers and knowledge of python and related computational tools will be appreciated. The ability to work creatively and independently, as a part of a diverse team, is important. Strong communication and language skills, as evidenced by publications and a cover letter, are required.
Selection process
Please send a resume, publication list, research interest, a brief statement of future plans and the names of two references to:
Dr. Ángel Morales- García
Email: angel.morales@ub.edu
Prof. Dr Francesc Illas
Email: francesc.illas@ub.edu
Summary of conditions
Contract Length: 1 year
Salary will depend on qualifications and experience.
Estimated Incorporation date: December 2021 – January 2022