Job vacancies

Post-Doctoral Position in Molecular Dynamics Based Design of Enzyme Inhibitors, Lyon, France

In a public-private partnership with an innovation company located in Lyon, France, a 18-month post-doctoral position is offered at Institut des Sciences Analytiques (ISA) within the Biomolecular Interactions group INTERACT ( ) to develop protocols of molecular dynamics and metadynamics to help the design of high-affinity protein ligands, including efficient enzyme inhibitors. The group and the company have a long-term experience in the affinity analysis using NMR and the chemical synthesis of protein ligands. We expended recently our equipment with dedicated cluster of CPUs and 15 GPUs available on site. The successful candidate will optimally have a strong background in computational physical chemistry or physical biochemistry and interest in innovative medicinal chemistry projects.

Lyon ( is situated in France in a very enjoyable location and good living standards, next to Switzerland and Italy, efficiently linked to the capital by TGV in 2h and to more than 140 destinations by air.

All inquiries and applications to :

Prof. Jean-Marc Lancelin
Institut des Sciences Analytiques
5, rue de la Doua
F-69100 Villeurbanne
Tel +33 04 37 42 35 46

Postdoctoral Positions in Biomolecular Simulations Centre de Biochimie Structurale, Montpellier (France)

For more information please see here

Postdoc position and Tenure Track position at SimatLab (TIM/Michelin Lab) in Clermont-Ferrand, France

The SimLab, a joint-lab between Michelin and the TIM lab in Université Blaise Pascal - Clermont-Ferrand, is recruiting a Post-Doc and a Tenure Track Assistant in the field of molecular simulation of polymeric materials:

  1. 2 years postdoctoral position
  2. Tenure track assistant position

Researcher position available at Michelin, Clermont-Ferrand, France

Michelin, located in Clermont Ferrand, is recruiting an Experimented Researcher in Simulation and Structure-properties Relationships of Elastomer Materials. For more information please see here

PhD studentship in "Statistical mechanics of single cells" at the Cambridge University Engineering Department

Eukaryotic cells exhibit considerable variability in their responses in terms of observables such as cell shape, cell area, cytoskeletal protein arrangements etc. This variability/fluctuation is inherent to the bio-chemical processes occurring within cells: in-fact cells use these fluctuations to detect and respond to their environment. However, these fluctuations have largely been neglected in most modelling approaches with attention restricted to deterministic models. The aim of the project is to develop a rigorous statistical mechanics framework for the response of single cells to their extra-cellular environment. This will involve two steps: (i) develop a coupled bio-chemo-mechanical model for the interactions of cells with their mechanical and chemical environments and (ii) employ this model within a statistical mechanics framework to investigate the sensitivity of the response to a range of engineered environments. The project is primarily computational in nature with the candidate required to develop multi-physics models for cells as well as associated Bayesian methods to calculate entropy functions and probability distributions.

The project will be conducted in close collaboration with a number of experimental researchers in the US and continental Europe. These researchers are performing the detailed measurements that will provide the required data to validate the approach. There will be opportunities for the candidate to spend time in these laboratories.

Applicants should have (or expect to obtain by the start date) at least a good 2.1 degree (preferably a first or its equivalent) in Engineering, Physics or related subject. A strong interest in both multi-physics modelling and computational techniques is essential.

Application instructions:
Applicants may contact Prof. Vikram Deshpande ( for informal inquiries. To apply, please complete form CHRIS /6 (cover sheet for C.V.s) available at and send it with your C.V. and a covering letter Ms. Hilde Fernandez to arrive no later than 15 December 2016.

Full-time research positions in Cambridge, MA, USA Computational design of materials for energy storage

More information available here

Postdoc position for development of electronic structure methods in London

Applicants are invited to apply for a postdoctoral Research Associate role in the group of Dr. George Booth at King's College London. The successful applicant will be closely involved in computational projects with the PI, developing and applying cutting edge wavefunction-based techniques for both molecular and materials first principles modelling. A background in electronic structure theory from either a Physics or Theoretical Chemistry perspective is required, as well as strong programming skills and familiarity with high-performance computing.

Applicants are expected to have a PhD, or are awaiting its award, in a relevant area (Theoretical/Computational Physics or Chemistry), strong expertise in the area of electronic structure theory development, implementation, and an appropriate publication record. The successful applicant will be expected to work within a collaborative theory group, and actively contribute to a variety of methodological developments, including stochastic, perturbative and embedding techniques.

The salary will be paid at Grade 6, £32,600 to £38,896 per annum, plus £2,323 per annum London Allowance.

This will be a fixed term contract for 2 years.

The selection process will include competency based questions and a panel interview.

For an informal discussion to find out more about the role please contact Dr George Booth at

Closing date: 21 September 2016

Applications can be made via:

For more information, or if you have questions about this role, please contact: Dr George Booth, Email:

Computational Biology PhD in Paris

More details here

Tenure track position in computational physics in Vienna

The University of Vienna invites applications for a tenure track position at the Faculty of Physics in the field of Computational Physics. The Faculty of Physics is currently active in five main research areas (see The successful candidate is expected to strengthen the research and teaching profile of the Faculty in the field of computational physics. Successful candidates have an outstanding research record or show exceptional promise in the area of computational condensed matter physics with an emphasis on the statistical mechanics of soft matter, complex fluids, magnetic materials or biophysical systems. Outstanding candidates in related fields may also be considered. The advertised position is a tenure track position: within the first two years of employment the University of Vienna may offer a "qualification agreement" if the scientific performance of the employee suggests that the required qualification can be reached. This agreement is connected with the title of "Assistant Professor". If the goals of the "qualification agreement" are met, the employment (initially limited to a period of 6 years) will be made permanent and the employee will be promoted to "Associate Professor". Via a further competitive procedure as stipulated in the University's Statutes, Associate Professors can be directly promoted to Full Professor. Deadline for applications: 1 April 2016. Employment will start as soon as possible. For further information see: here

Five PhD fellowships in molecular modelling SNS Pisa

Scuola Normale Superiore in Pisa invites applications for five PhD positions in the field of Molecular Modelling. Deadline for application March 15 (spring session) and August 30 (fall session) 2016. More information available at

The President of Ireland Future Research Leaders Programme

More information here

Post-doctoral Fellowship at Nanogune on first-principles materials

More information here

Post-doc opportunity at CentraleSupelec (former Ecole Centrale Paris, France) in Numerical Method for Quantum Chemistry and Physics.

The Laboratory "Structure, Properties and Modeling of Solids Modeling" is a joint research unit between the Ecole Centrale Paris and CNRS. One of our goals is to discover materials of the future in key areas such as energy, electronics and health. Our strength is to work both on the exploration of new compounds, new developments, but also on the characterization of advanced structural and functional properties of produced materials. Another important objective is to develop new investigation tools for a better experimental and theoretical understanding of matter from a sub-atomic scale up to a scale of several hundred microns. Our laboratory is at the border between chemistry and physics, so it naturally develops an interdisciplinary approach. SPMS laboratory enjoys a leading academic setting within the CentraleSupélec engineering school in the University Paris Saclay.

Partial description of our activities can be found at Within SPMS lab, our group is active in modelling electron densities and electron density properties in molecules and crystals either by means of ab initio computing methods (Gaussian09 or CRYSTAL14 code) or by refinement of quantum theoretical models against experimental X-ray and neutron scattering data. Other experimental methods are also considered. We offer a 12 to 18 months post-doc position to help develop new efficient means to reconstruct a One electron Reduced Density Matrix from experimental data. The candidate is expected to master efficient computer coding (Fortran, C++) together with knowledge of numerical methods adapted to quantum chemistry. He would ideally hold a PhD degree in applied mathematics, theoretical physics or chemistry. Please send application with a CV and recommendation letter to: Surface mail:
Prof. Jean-Michel Gillet
SPMS laboratory
Grande Voie des Vignes
92295 Chatenay-Malabry

Tenure-Track Assistant Professor towards Associate Professor in the domain of molecular dynamics and modeling in the Department of Fundamental Oncology

UNIL and the University Medical Centre of Lausanne (CHUV), the second largest university hospital in Switzerland, together with the Federal Institute of Technology of Lausanne (EPFL), have selected Oncology and Immune Engineering as areas of high priority. The three institutions have jointly built an integrated Cancer Centre in Lausanne ( LICR), focused on personalised therapy, clinical innovation and translational research. To reinforce the fundamental and clinical translational research, we are seeking outstanding candidates with recognised expertise in Molecular Dynamics and Modeling applied to computer-aided protein engineering and drug design. More information available here.

Large-scale quantum chemistry simulations of organic photovoltaics

This is a 4-year PhD project in the Skylaris research group at University of Southampton, co-funded by EPSRC Centre for Doctoral Training, University of Southampton and Merck. It is due to start in September 2015 and is open to applicants from EU countries. More information: