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2 postdoc positions at the University of L’Aqu ... (No replies)
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Call for 2 postdoctoral fellowships in Computational Chemistry at The University of L’Aquila
The University of L’Aquila (Italy) is inviting applications for two postdoctoral positions at the Department of Physical and Chemical Science with expected starting date in September, 2022. The first appointment is for one year and the fellowships can be renewed. A brief description of the projects is provided below, along with the requirements and application details.
Project 1. Systematic parameterization of classical force fields for drug-like molecules from quantum chemical data.
The main objective of the project is the development of force fields for the semiclassical study of the interactions between biological macromolecules and molecules of potential pharmaceutical interest. The candidate is initially expected to develop, through quantum-chemical methodologies in the field of density functional theory, a set of parameters to be used in classical force fields for a very large set of molecules. This set of parameters will be subsequently refined on the basis of comparisons with experimental (spectroscopic/thermodynamic) observables. In the second part of the project, the developed force fields will be used to produce molecular dynamics simulations of drug-receptor complexes with the aim of calculating accurate binding free energies. The project will be conducted in close collaboration with the pharmaceutical company Dompé which is based in L'Aquila.
Given the inherent interdisciplinarity of the project, the successful candidates will work in a friendly and multi-disciplinary environment, collaborating closely with pharmaceutical partners and a leading research group from the ICCOM-CNR of PISA.
Project team: Prof. Isabella Daidone and Prof. Massimiliano Aschi (Internal supervisors, University of L’Aquila, Italy); Domenico Bonanni (Dompé, Italy); Prof. Giacomo Prampolini (ICCOM-CNR, Italy).
Candidate Requirements: The successful applicants should possess a PhD in computational chemistry or related disciplines, excellent research accomplishment and very good communication skills in written and spoken English.
Desired qualifications: The project is extremely wide-ranging and experience in one or more of the following areas would be advantageous: electronic structure calculations; molecular dynamics simulations; use of supercomputing facilities.
Duration of the fellowship: The position is for one year with the possibility for renewal and is expected to start on September 1st, 2022.
Application: The call can be found here:
https://www.univaq.it/include/utilities/blob.php?table=assegni_ricerca&id=727&item=bando
The application form can be found here:
https://pica.cineca.it/univaq/dsfc2022-a012/
The deadline is on the 10th of June 2022
Project 2. Study of structural and dynamical properties of water and aqueous electrolyte solutions under confinement (molecular/macromolecular crowding) by means of classical and mixed quantum/classical computational approaches.
The aim of the project is the study of structural and dynamical properties of water and aqueous electrolyte solutions in molecular/macromolecular crowding by means of a combined experimental/computational approach. Molecular and macromolecular crowders of interest for the developing of low-cost and eco-friendly aqueous electrolytes with a wide voltage window will be chosen. These properties are critical to achieve safe, high-energy and sustainable Li-ion (or Mg-ion) batteries.
Given the inherent interdisciplinarity of the project, the successful candidates will work in a friendly and multi-disciplinary environment, collaborating closely with experimental research groups with expertises in NMR techniques.
Project team: Prof. Isabella Daidone and Prof. Cinzia Casieri (Internal supervisors, University of L’Aquila, Italy).
Candidate Requirements: The successful applicants should possess a PhD in computational chemistry or related disciplines, excellent research accomplishment and very good communication skills in written and spoken English.
Desired qualifications: The project is extremely wide-ranging and experience in one or more of the following areas would be advantageous: electronic structure calculations; molecular dynamics simulations; use of supercomputing facilities.
Duration of the fellowship: The position is for one year with the possibility for renewal and is expected to start on September 1st, 2022.
Application: The call can be found here:
https://www.univaq.it/include/utilities/blob.php?table=assegni_ricerca&id=728&item=bando
The application form can be found here:
https://pica.cineca.it/univaq/dfc2022s-a011/
The deadline is on the 10th of June 2022
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Informal queries on the projects and on the application procedure should be directed to Prof. Isabella Daidone – [email protected]