Department: Physics & Astronomy, London Centre for Nanotechnology
Institution: University College London
I am a theoretical chemist and computational material scientist with machine learning, electronic structure, statistical mechanics, and scientific programming expertise. I am interested in predicting the phase behavior of bulk and confined systems using machine learning and first-principles methods. My work, therefore, encompasses the development of predictive yet computationally affordable techniques for crystal structure prediction, quantum vibrational spectra, and phase-diagram calculation.
Machine learning potentials, path integral methods, free energy methods