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Postdoctoral Research Associate- Isayev Lab


The research groups of Gabe Gomes ( and Olexandr Isayev ( have a joint opening for a postdoctoral fellow starting immediately. Specifically, this position will focus on developing novel ML and AI algorithms for autonomous experimentation within CMU Cloud Lab facility ( You will be part of an interdisciplinary team of materials scientists, chemists, and computer scientists working to interface of computational chemistry, organic chemistry, robotics, and machine learning. Additionally, our groups are part of NSF Center for Computer Assisted Synthesis (C-CAS, ), that facilitates collaboration with leading synthetic and computational chemistry labs.

The project is focused on the development of an automated approach to interface remote analytical instrumentation (e.g., HPLC, NMR and Mass Spec) at the CMU Cloud Lab with ML/AI. The successful candidate will enable iterative feedback through numerous experimental-predictions cycles. This improvement in machine-guided experimental campaigns planning and execution will lead to the substantial democratization of chemical manipulation.


Candidates holding a PhD in Chemistry/Materials Science/Engineering/Computational Science, or in a related field are encouraged to apply. Applicants should outline how they possess the following attributes required for the position:
  • Strong programming record. Experience in one or more programming languages such as Python, Julia or MATLAB/LabView.
  • Experience in ML algorithms, physics-informed ML, and interfacing of ML methods with experimentations.
  • Experience with one or more deep learning libraries like PyTorch, TensorFlow, or JAX.
  • Experience of applying active learning, Bayesian optimization, reinforcement learning, multimodal learning is a plus.
  • Knowledge of experimental protocols and procedures is a plus.
  • Initiative and interpersonal skills with desire and ability to work in a collaborative, multidisciplinary team environment.
  • Excellent written and oral communication skills in English.
Application Instructions

Applications, including a cover letter, curriculum vitae indicating your interest should be submitted electronically via Interfolio.

The evaluation of candidates will begin immediately and continue until the available position is filled. CMU, Gomes and Isayev groups are committed to equity, inclusion and the provision of a respectful work environment

Equal Employment Opportunity Statement

Carnegie Mellon University shall abide by the requirements of 41 CFR §§ 60-1.4(a), 60-300.5(a) and 60-741.5(a). These regulations prohibit discrimination against qualified individuals based on their status as protected veterans or individuals with disabilities, and prohibit discrimination against all individuals based on their race, color, religion, sex, or national origin. Moreover, these regulations require that covered prime contractors and subcontractors take affirmative action to employ and advance in employment individuals without regard to race, color, religion, sex, national origin, protected veteran status or disability.

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