Research Scientist (Computational Chemistry)

Job Description

About the Role We are looking for candidates with a unique skill set at the intersection of computational chemistry and deep learning. Responsibilities Design, implement, and improve algorithms for deriving insights on chemical data by combining computational chemistry and machine learning Designing and running various types of simulations using state-of-the-art software packages, developing and implementing automated workflows for running simulations, and analyzing results. Incorporate computational models and machine learning techniques at various stages of the simulation. Evaluate and validate the analysis with statistical methods. Also presenting this in a lucid form to people not familiar with the domain of data science/computer science. Evaluating new machine learning methods and adapting them for our purposes. Educational Qualifications M.E.\M.S.\M.Tech\PhD preferably in fields related to Computational Chemistry or Bioinformatics or Computer Science preferred. Requirements Extensive experience with Docking and MD simulation tools like: AutoDock Vina, GROMACS, AMBER, Quantum Espresso, Schr dinger, Discovery Studio, etc. Experience working with visualization tools like PyMOL, Chimera, etc. Experience building data pipelines derived from computational chemistry experiments. An understanding of the basics of polymer chemistry. At least 2 years of professional work experience working on real-world data. A programming background in one of: Python, R, or Java is also a big plus. Experience working with any of the following: GCP, AWS, Azure Excellent mathematical skills and background, e.g. accuracy, significance tests, visualization, and advanced probability concepts. Ability to perform both independent and collaborative research. Excellent written and spoken communication skills. A proven ability to work in a cross-discipline environment in defined time frames. Location: Ahmedabad