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Postdoctoral position available at Argonne Natio ... (No replies)

bnarayanan
8 years ago
bnarayanan 8 years ago

The theory and modeling group at the Center for Nanoscale Materials, Argonne National Laboratory, has an immediate postdoctoral opening in the area of computational modeling at multiple length/time scales of nanoparticle supercrystals (NPSCs) that form via self-assembly of ligand-decorated nanoparticles (NPs) into periodic 2D/3D lattices. Specifically, the research involves investigating the physical factors controlling self-assembly of ligated NPs into NPSCs, structure-property relationships, pressure cycling, and rheology of these NPSCs using coarse-grained and all-atom molecular dynamics simulations. The research also includes high-throughput computations of various ligand/NP combinations to accelerate discovery of novel NPSCs with improved functionality for water purification, solar energy, harvesting, electronics, and other energy applications. The postdoctoral researcher will have the opportunity for extensive collaborations with various experimental and computational groups at Argonne.

The applicants should have expertise in two or more of the following areas:

  • Coarse-grained molecular dynamics, MARTINI force fields
  • All atom reactive molecular dynamics
  • Rheology of nanoparticle assemblies
  • Free energy calculations, Sampling methods, and chemical reaction dynamics
  • Density functional theory (DFT), and electronic structure calculations
  • Numerical methods and optimization (machine learning, data mining, genetic algorithms etc.)
  • High-performance computing

The successful candidate will have practical experience in some of the following:Coarse-grained molecular dynamics, all-atom reactive molecular dynamics, high-throughput calculations, development of new coarse-grained/all-atom force fields, numerical optimization, and strong analytical skills. Good programming abilities and knowledge of high performance computing are also required. Experience with soft matter systems, electronic structure calculations, and machine-learning methods will be an added advantage. Good communication skills are also required.

The successful candidate will be offered a competitive package, commensurate with qualifications and experience. Initial appointment will be for a period of one year and will be renewable for an additional year. A PhD in chemistry, computational materials science, chemical engineering, or a related field is required. Applicants must have received their Ph.D within the last 5 years. Review of applications will begin immediately and continue until the position is filled. Interested candidates should send their CV and names of references to either Dr. Badri Narayanan ([email protected]) or Dr. Subramanian Sankaranarayanan ([email protected]).




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Ab initio (from electronic structure) calculation of complex processes in materials