Job Opportunities

Current Opportunities

UPDATE: we are not receiving new candidatures as we are processing a large number of candidatures right now.

HIRING! We are currently looking for a talented PhD candidate with a background in computational physics or chemistry. Experience in atomistic classical or reactive force-field based molecular modelling and coding is required. Experience in multi-scale modelling, enhanced sampling techniques and/or machine-learning applied to data science is a plus. The PhD candidate will join a diverse team working on modelling reactive processes involving Metal-Organic Frameworks. 

The Project: Metal-Organic Frameworks (MOFs) are porous materials with many societally relevant potential applications, such as carbon capture, removal of environmental toxins and drug-delivery. Despite the progress in the field, synthesizing a MOF currently requires tens to hundreds costly and time-consuming trial-and-error synthesis experiments because our ability to correlate the synthesis conditions with the desired MOF structure is very limited. To overcome this, we need to decode the mechanisms underlying MOF self-assembly, a highly complex non-equilibrium process covering a wide range of time- and length-scales, from the formation of the building units to nucleation and growth.

The PhD candidate recruited will work as part of a team of researchers in the development and application of a multi-scale computational methodology[1-3] to decode the mechanisms underlying MOF self-assembly and predict synthesis conditions-structure (topology, defects) relationships within the MAGNIFY project, funded by the European Research Council. He or she will gain expertise in multi-scale molecular dynamics simulations, enhanced sampling techniques and application of machine-learning techniques to analyse simulation data, all applied to a challenging and exciting fundamental chemistry problem. 

[1] Computer Simulation of the Early Stages of Self-Assembly and Thermal Decomposition of ZIF-8; S. R. G. Balestra, R. Semino; J. Chem. Phys, 157, 184502 (2022)

[2] Force Matching and Iterative Boltzmann Inversion Coarse Grained Force Fields for ZIF-8, https://arxiv.org/abs/2312.05192

[3] Microscopic Mechanism of the Thermal Amorphization of ZIF-4 and Melting of ZIF-zni Revealed via Molecular Dynamics and Machine Learning Techniques, https://arxiv.org/abs/2311.16351

About us: the project will be carried out at Sorbonne Université, within the PHENIX laboratory. Many conferences and workshops are held on campus, as we are a CECAM node. We work in a supportive and vibrant environment, we value teamwork and diversity and we actively help promote the career of our PhDs and postdocs.    

Candidate profile and application: We are looking for a motivated candidate with a degree in Chemistry, Physics or Materials Science or an engineer degree in these disciplines, programming skills (c/c++, FORTRAN or python) and/or knowledge in the field of molecular modelling (molecular dynamics). Experience in the use of enhanced sampling methods, coarse-graining methodologies or hybrid simulations would be considered a plus. A good level of English is also required. To apply, please send us a CV, a short letter explaining why you would like to join us, a document stating your master and licence qualifications and one or two reference persons (master professor or master supervisor) that we can contact. The initial deadline for the application is on February 9th 2024, the final decision will be communicated to the successful candidate on February 29th 2024

Period: October 2024 – September 2027 (the duration of a PhD in France is 3 years). The starting date can be postponed for a few months if needed. 

MORE INFORMATION ON THE MAGNIFY PROJECT: click here 

Past Opportunities

PhD position (click for details)


The Project


Metal-Organic Frameworks (MOFs) are porous materials with many societally relevant potential applications, such as carbon capture, removal of environmental toxins and drug-delivery. Despite the progress in the field, synthesizing a MOF currently requires tens to hundreds costly and time-consuming trial-and-error synthesis experiments because our ability to correlate the synthesis conditions with the desired MOF structure is very limited. To overcome this, we need to decode the mechanisms underlying MOF self-assembly, a highly complex non-equilibrium process covering a wide range of time- and length-scales, from the formation of the building units to nucleation and growth.

 

The PhD candidate recruited will work as part of a team of researchers in the development of a multi-scale computational methodology to decode the mechanisms underlying MOF self-assembly and predict synthesis conditions-structure (topology, defects) relationships within the MAGNIFY project, funded by the European Research Council. He or she will gain expertise in multi-scale molecular dynamics simulations, enhanced sampling techniques and application of machine-learning techniques to analyse simulation data, all applied to a challenging and exciting fundamental chemistry problem.

 


Reference: https://arxiv.org/abs/2206.14765

 


About us


The project will be carried out at Sorbonne Université, within  the PHENIX laboratory that is internationally recognized for its contributions in the development and implementation of a large variety of multiscale modelling and experimental techniques applied to studying the structure and dynamics of complex condensed phase systems. Many conferences and workshops are held on campus, as we are a CECAM node. We work in a supportive and vibrant environment, we value teamwork and diversity and we actively help promote the career of our PhDs and postdocs.    


 

How to apply


We are looking for a PhD candidate with coding experience and/or with experience in molecular dynamics simulations. Experience in the use of enhanced sampling methods, coarse-graining methodologies or hybrid simulations would be considered a plus. To apply, please send us a CV, a short letter explaining why you would like to join us, and a document stating your master and licence qualifications. One or two letters of recommendation or the name of a reference person (master professor or master supervisor) that we can contact would be highly appreciated. The expected starting date is December 1st 2022 can be negotiated for early/mid 2023. Duration: 3 years (standard duration of PhD in France). Application deadline: August 10th.


Contact: rocio.semino@umontpellier.fr



Postdoc position (click for details)


The Project

Metal-Organic Frameworks (MOFs) are porous materials with many societally relevant potential applications, such as carbon capture, removal of environmental toxins and drug-delivery. Despite the progress in the field, synthesizing a MOF currently requires tens to hundreds costly and time-consuming trial-and-error synthesis experiments because our ability to correlate the synthesis conditions with the desired MOF structure is very limited. To overcome this, we need to decode the mechanisms underlying MOF self-assembly, a highly complex non-equilibrium process covering a wide range of time- and length-scales, from the formation of the building units to nucleation and growth.

 

The postdoctoral researcher recruited will work as part of a team of researchers in the development of a multi-scale computational methodology to decode the mechanisms underlying MOF self-assembly and predict synthesis conditions-structure (topology, defects) relationships within the MAGNIFY project, funded by the European Research Council. He or she will gain expertise / improve his or her skills on multi-scale molecular dynamics simulations and enhanced sampling techniques applied to a challenging and exciting fundamental chemistry problem.

 


Reference: https://arxiv.org/abs/2206.14765

 


About us


The project will be carried out at Sorbonne Université, within  the PHENIX laboratory that is internationally recognized for its contributions in the development and implementation of a large variety of multiscale modelling and experimental techniques applied to studying the structure and dynamics of complex condensed phase systems. Many conferences and workshops are held on campus, as we are a CECAM node. We work in a supportive and vibrant environment, we value teamwork and diversity and we actively help promote the career of our PhDs and postdocs.

 


How to apply


We are looking for a Postdoc candidate with coding experience and with experience in molecular dynamics simulations and/or enhanced sampling methods. Experience in coarse graining method development, hybrid atomistic / coarse graining approaches and/or modelling self-assembly phenomena or reactive processes in solution will be considered as a plus. To apply, please send us a CV and a short letter explaining why you would like to join us. One or two letters of recommendation or the name of a reference person that we can contact (PhD, postdoc and/or master supervisor) would be highly appreciated. The starting date can be negotiated. Duration: 2 years. Application deadline: August 10th.


Contact: rocio.semino@umontpellier.fr