Dr Venkat Kapil

I am a theoretical chemist and computational material scientist with expertise in machine learning, electronic structure, statistical mechanics and scientific programming. I am interested in predicting the phase-behaviour of bulk and confined systems using machine-learning and first-principles methods. Traditionally, these approaches require very high computational effort or are computationally prohibitive for many systems. My work therefore encompasses development of predictive yet computationally affordable techniques for crystal strcuture prediction, quantum vibrational spectra, and phase-diagram calculation. I am currently applying these techniques to compute phase-diagrams of nanoconfined water in close collaboration with Angelos Michaelides's group. Please checkout my website for more details on my research.