Beca FPI Computational Reaction Mechanisms – CLOSED
Research contract
More than 60 researchers, experts in several fields of the Theoretical and Computational Chemistry, integrate the Institute of Theoretical and Computational Chemistry of the Universitat de Barcelona (https://www.iqtc.ub.edu/en/). The research activity carried out at the IQTCUB covers methods and computational tools development, application of several techniques of electronic structures 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.
IQTCUB is currently accepting applications from graduate students who want to join the project led by Prof. Gabriel Aullón and Dr. Jesús Jover entitled “Computational studies on first-row transition metal-catalyzed cross-coupling reactionsâ€.
Details
A 4-year FPI doctoral fellowship is available in the field of computational reaction mechanisms studies and modeling of transition metal-catalyzed homogeneous cross-coupling reactions. The main objective of this PhD proposal consist of transforming catalytic reactions that employ –scarce, toxic and expensive– heavy transition metals such as Ru, Rh, Pd, Ir, Pt, etc., into more affordable and benign first-row transition metal catalyzed versions i.e. using Mn, Fe, Co, Ni or Cu, which would produce more sustainable, green and cheap catalytic processes.
Requirements
We seek an enthusiastic and highly talented chemist or physicist willing to work in an international and interdisciplinary team of computational and theoretical chemists. The applicant should hold, or be close to completing, a master degree in fields related to physics, chemistry or material sciences. Good verbal and written communication skills in English, and the ability to work well, both individually and as team member, are required. Practical experience in the use of high-performance computers, Linux environments, and scripting will be positively valued.
Selection process
Prospective candidates please send a CV, motivation letter and the names of two scholars that can provide references to gabriel.aullon@qi.ub.edu and jjovermo@ub.edu with the subject “FPI doctoral fellowship PhD applicationâ€
Summary of conditions:
4-year FPI (Formación de Personal Investigador) PhD grant with approved funding from the Ministerio de Ciencia, Innovación y Universidades.
Expected starting date: May 2020. If formal start date is delayed a “bridging†contract, with salary to be negotiated, will be made to hire the successful candidate until the FPI PhD contract starts.