About Me

I'm a postdoctoral associate at the Center for Unified Biometrics and Sensors (CUBS) as part of the Department of Computer Science and Engineering at the University at Buffalo (UB). Headed by Dr. Venu Govindaraju, members at CUBS perform cutting-edge research on the application of machine learning to improve face detection and identification, document recognition, handwriting recognition and many other interesting topics. My research focuses mainly on the application of machine learning to materials science problems. I'm involved in an interdisciplinary team of graduate students, research scientists and professors from the departments of Materials Design and Innovation as well as Computer Science at UB. Interacting with experts from both these departments has not only opened my eyes to the growing challenges, but also allowed me to learn a great deal about the state-of-the-art in these vastly different fields. Currently, we're working on the development of a web-based framework with advanced machine learning as well as visualization tools to enable the accelerated discovery of efficient materials.

I graduated with a Ph. D. degree in Chemical Engineering from the University at Buffalo in June 2016. Being part of the Kofke group, my research mainly focused on developing theoretical methods and algorithms for use in Path Integral Monte Carlo simulations to evaluate quantum virial coefficients. More specifically, I developed novel algorithms that enabled directly sampling the degrees of freedom of diatomic molecules. I derived approximate Gaussian probability distributions that form the basis of these algorithms and which can be easily sampled directly from. Such algorithms have the advantage that they do not require expensive quantum chemistry calculations as input and can be easily extended to multiatomic systems.

I'm a machine learning and computer science enthusiast and like to learn different programming and scripting languages. I find the field of quantum chemistry and quantum mechanics fascinating. Machine Learning, Artificial Intelligence and Data Science are, according to me, going to play a huge role in the development of technology and services in the coming years. Therefore, I'm interested in learning different tools that will enable me to handle problems related to these fields. Outside of academics, I'm also passionate about badminton and sports in general. Definitely a dog person and will hopefully get one soon!


  • Programming languages: Java(6 yrs.), AWK(5 yrs.), Shell(5 yrs.), LaTeX(4 yrs.), Python(3 yrs.).
  • Technical computing software: Octave, Matlab, Mathematica.
  • Web development and testing: HTML, CSS, JUnit, Selenium.
  • Machine learning, data structures and algorithms, mathematical modeling.
  • Leadership, communication, creativity, critical thinking, logical reasoning.

Email: rsubrama@buffalo.edu
LinkedIn: https://www.linkedin.com/in/rsubramanian2