Staff Directory

Yacob is an undergraduate student who works on investigating properties and applications of metal-binding ligands via density functional theory for froth flotation extraction methods.

Vianny investigates the properties of lithium-ion battery electrolytes using molecular dynamics simulations.

Salma uses quantum-chemical computational methods to design and analyze ligands for the separation of rare-earth elements (REEs) and transition metals. REEs are essential components in electronics, such as smartphones, but their purification is challenging due to their chemical similarities.

Nathan is a second-year Ph.D. candidate in the Chemical Engineering department, utilizing Density Functional Theory calculations and machine learning-driven molecular dynamics simulations to explore the properties of molten salt systems. His research aims to optimize molten salt electrolysis for applications such as metal extraction from select ores and the recycling of spent battery materials.

In Won's research interest is to develop ab initio thermodynamic approaches and apply the computational methods to the electrolyte/anode interface in Li-ion batteries by focusing on materials process-structure-property relationships.

Co-supervised by Professor Richard Friesner in the Department of Chemistry, Gabriel uses advanced computational chemistry tools—such as Density Functional Theory calculations and Ab Initio Molecular Dynamics—to investigate the reactions responsible for electrolyte decomposition and the formation of the Surface-Electrolyte Interface (SEI). His research aims to deepen the theoretical and computational understanding of the molecular events that drive SEI formation, while also developing faster simulation strategies.

Brian is a fourth-year Ph.D. candidate in the Chemical Engineering department, co-advised by Dr. West & Dr. Urban. As an NSF GRFP Fellow, he conducts research focused on characterizing metals and minerals critical to the electrochemical industry via experimental methods and DFT. Before Columbia, Brian graduated from UC San Diego with a B.S. in Chemical Engineering and a B.S. in Probability & Statistics.

About Alex

Alex is an associate professor in the department of chemical engineering at Columbia University. He is a computational materials chemist and is interested in materials and processes for clean-energy applications, particularly in materials for batteries and fuel cells and in processes for the mining and recycling of critical metals. Alex is a core member of the Columbia Electrochemical Energy Center and the Columbia Center for Computational Electrochemistry, as well as an affiliated member of the Columbia Data Science Institute.

Aleksandra develops machine-learning models to predict nuclear magnetic resonance (NMR) spectra.