A fully-funded postdoctoral position in computational material science is available for two-years at the Molecular Quantum Technology Group of Felipe Herrera, based in the Department of Physics at Universidad de Santiago de Chile. The group works on the development of large-scale virtual screening algorithms for the computational discovery of experimentally-accesible metal-organic frameworks (MOF) that can be used as efficient nonlinear optical crystals for quantum communication protocols.

Applicants must submit their current CV and have 2 letters of recommendation sent to felipe.herrera.u@usach.cl.

Application Deadline: June 15, 2018.


  • Perform molecular dynamics simulations to study the energetics of a large set of computer-generated MOF structures produced by in-house combinatorial software.

  • Perform quantum chemistry calculations of linear and nonlinear polarizabilities of a large number of conjugated organic ligands.

  • Lead efforts to construct accurate physical models and software to compute the nonlinear optical response of MOF single crystals, based on ligand monomer data.

  • Assist in scientific training of physics and chemistry undergraduate students.

  • Assist in the preparation of grant proposals and scientific publications.

  • Assist with the administration of in-house HPC cluster.


Ph.D. degree in Chemistry, Physics or similar. Demonstrated knowledge in molecular dynamics simulations of large chemical structures and quantum chemistry methods for computing accurate linear and nonlinear response of organic chromophores. Good programming skills in scientific computing languages (e.g. Python, Fortran, Matlab). Familiarity with big-data analysis and/or high-throughput virtual screening techniques is a plus.

We welcome applications from all sections of the community and from people of all backgrounds.