Postdoctoral position in Computational Chemistry (POST-IP_C.Curutchet _052023)

Updated: 3 months ago
Job Type: FullTime
Deadline: 04 Dec 2023

19 Nov 2023
Job Information
Organisation/Company

Universitat de Barcelona
Department

Department of Pharmacy and Pharmaceutical Technology, and Physical ChemistryOrganisation profile
Research Field

Chemistry
Researcher Profile

Recognised Researcher (R2)
Country

Spain
Application Deadline

4 Dec 2023 - 23:59 (Europe/Madrid)
Type of Contract

Temporary
Job Status

Full-time
Hours Per Week

37,5
Offer Starting Date

1 Jan 2024
Is the job funded through the EU Research Framework Programme?

Not funded by an EU programme
Reference Number

POST-IP_C.Curutchet _052023
Is the Job related to staff position within a Research Infrastructure?

No

Offer Description

A postdoctoral position is available at the Institute of Theoretical and Computational Chemistry of the University of Barcelona (https://www.iqtc.ub.edu ), funded through the María de Maeztu Unit of Excellence award of the IQTC-UB (CEX2021-001202-M), in the Curutchet Lab (https://www.ub.edu/cplab ), at the Faculty of Pharmacy and Food Sciences.

IQTC Description: The IQTC aims to develop and efficiently use computational methods in chemistry to solve scientific questions related to a wide range of fields, from environment and energy to materials and life sciences. To be able to significantly progress in these areas, it is necessary to obtain detailed information at the atomic level; however, even the more sophisticated experiments cannot offer a complete picture of the analysed systems. This is where computational chemistry offers powerful methods to complement such experiments; this discipline allows a biased interpretation of complicated raw data and provides accurate predictions of those properties that, due to many reasons (instability, short life and extreme conditions) cannot easily be obtained experimentally. Since its creation in 2007, IQTC has worked on cutting-edge research in different fields of theoretical and computational chemistry, generating outstanding publications in the most important international journals.

Postdoctoral Project: The spectroscopy and photophysics of biological systems are intimately related to the underlying structure of both the light-absorbing molecules (chromophores) participating in the process and the macromolecular entity, e.g. a protein, that hosts them. Understanding the subtle interplay between photophysics and structure, however, is rather complex, and constitutes an important challenge in two areas of growing interest in the research community: the light harvesting mechanisms of photosynthesis, which serve as inspiration for the design of next generation photovoltaic devices, and the emergence of dynamic structural biology as a key field in biomedicine, which underscores the importance of dynamics in order to achieve a complete understanding of how structure determines function. The project will focus on the development and application of multiscale QM/MM computational tools to improve the description of the spectroscopy and Förster resonance energy transfer (FRET) properties of biosystems, as well as the use of molecular dynamics simulations either based on classical, multiscale or machine learning approaches to study the impact of structural changes on excited state properties. These computational techniques will be applied to tackle the properties of different systems, like photosynthetic antennae, disordered proteins, or protein-ligand complexes.

Offer Description:

• We are seeking a postdoctoral researcher willing to pursue an academic career in the study of the photophysics and biophysics of biological systems with computational methods.

• The work involves the use of computational methods to tackle several potential projects: 1) study the interrelation between FRET properties and underlying structure in biosystems, 2) study the structural and dynamic basis for the modulation of the photosynthetic efficiency using xenobiotics, 3) assess the ability of FRET simulations to characterize ligand binding for drug discovery targets.

• The main computational methods in use will be Molecular Dynamics simulations and excited state polarizable multiscale QM/MM calculations.


Requirements
Research Field
Chemistry
Education Level
PhD or equivalent

Skills/Qualifications

• PhD degree in the field of Theoretical and Computational Chemistry.

• Excellent English oral and writing skills.

• Experience in the study of excited states and absorption/emission processes using time-dependent density functional theory and continuum and multiscale solvation models.

• Expertise in Molecular Dynamics simulations and programming with Python or other languages is desirable.


Specific Requirements

• At least 1 Reference Letter.


Languages
ENGLISH
Level
Excellent

Research Field
Chemistry

Internal Application form(s) needed
5_Sollicitud_declaracio_responsable.pdf
English
(254.6 KB - PDF)
Download
Additional Information
Benefits

23660.04 € for year


Eligibility criteria

• Adequacy of the CV (max 50 points)

  • Specialized PhD (10 points), generic PhD (5 points)
  • Publications and dissemination activities (20 points)
  • Expertise in computational methods relevant to the project (10 points)
  • Complementary skills, management skills and autonomy (10 points)

• Research Summary (max 20 points)

• Motivation letter (max 20 points)

• Experience in the field (max 10 points)

                -Experience >2 years (10 points), < 2 years (5 points)

Minimum score to pass the selection process: 60 points


Additional comments

Duration of the contract of employment: 2 years

The candidate proposed for hiring must accept the job offer within 10 working days from the date of notification of the selection.


Website for additional job details

https://seu.ub.edu/ofertaPublicaCategoriaPublic/cercadorPublicacio/46379131.3888

Work Location(s)
Number of offers available
1
Company/Institute
Department of Pharmacy and Pharmaceutical Technology, and Physical Chemistry
Country
Spain
State/Province
Barcelona
City
Barcelona
Postal Code
08028
Street
Av. Juan XXIII, 27-31
Geofield


Where to apply
Website

https://seu.ub.edu/

Contact
State/Province

Barcelona
City

Barcelona
Website

https://www.ub.edu
Street

Av. Joan XXIII 27-31
Postal Code

08028
E-Mail

[email protected]

STATUS: EXPIRED

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