Temple University College of Science and Technology

Company Employees

Vaibhav Singh

Computational Chemist/ Data Scientist @Temple University

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I have completed a Ph.D. in Computational Chemistry, where I modeled molecular movements under intense light using stochastic algorithms, including Monte Carlo simulations and the Metropolis criterion. Leveraging strong programming skills, I implemented Newtonian dynamics in Python and interfaced legacy Perl software (rewritten in Python) to accelerate simulations of chaotic molecular behavior. Additionally, I applied machine learning techniques, such as Random Forest models, to classify simulation products and am currently incorporating Convolutional Neural Networks (CNNs) to extend simulations to longer time scales. My passion for modeling complex, chaotic systems drives my desire to unravel mysteries with the help of Mathematics and Data Science.More...