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Graduate Research Assistant (Molecular Dynamics)

The ASE group is looking to hire an incoming graduate student at MIT to work on atomistic level modeling. Our group has recently developed a procedure for quickly developing fast yet accurate interatomic potentials that can be parameterized fully from first principles/ab initio calculations, e.g., by using density functional theory (DFT). The group is seeking a graduate student that would work on developing codes that would streamline the process of making potentials for new crystalline materials, and extending the procedure to describe disordered materials, such as alloys and amorphous materials in addition to interfaces. The goal of developing this more streamlined approach is to enable faster investigation of lingering issues in the literature where experiments have been performed, they observed something anomalous, yet were unable to explain it. By using recently developed analysis techniques such as the Green-Kubo Modal Analysis method and the Interface Conductance Modal Analysis Method, which were developed within our group, the candidate fulfilling this position would seek to resolve/explain as many of these mysteries as possible.


  1. Candidates must have been granted admission to a graduate program Department at MIT, preferably Mechanical Engineering, Materials Science, Physics, Chemistry or Chemical Engineering – but others are also welcome to apply.
  2. Candidates must plan on pursuing a Ph.D. – entering at the Masters level is not a problem. What matters is that the goal/intention must be to finish the Masters and then continue with a Ph.D. in the ASE group.
  3. Candidates must be highly motivated and should have a strong interest in topic as described above.
  4. Candidates should have some form of prior research experience