Yamil J. Colón, Ph.D. - Principal Investigator

Dr. Colón is Associate Professor of Chemical and Biomolecular Engineering at the University of Notre Dame.

Click here for Dr. Colón’s bio

View Dr. Colón’s Google Scholar profile for a complete listing of citations and work

Graduate Students

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James Carpenter

My current project is modeling self-assembly of porous materials for use in separations, gas adsorption/storage, catalysis, and sensing. In pursuit of this I'll be using molecular dynamics simulations and enhanced sampling to determine feasible useful materials, and how to create them.

BEng in Chemical Engineering, University of Washington

Orlando Mendible Barreto

My research focuses on providing fundamental knowledge of the self-assembly mechanisms of metal-organic frameworks through molecular dynamics simulations and other computational tools. A more advanced understanding of these mechanisms will allow to control the process and design new high-quality materials for a wide range of applications, including gas separation/adsorption, catalysis, and energy storage.

BSc in Chemical Engineering, University of Puerto Rico, Mayagüez

Wilson Raney

My research is centered on exploring the nonlinear optical qualities of metal-organic frameworks (MOFs). Certain MOFs are known to be capable of spontaneous parametric down-conversion (SPDC), allowing for the production of entangled photon pairs. Simulating different MOF configurations enables us to draw relationships between MOF chemistry and the degree of SPDC when exposed to high-intensity light. The motivation for this work is to develop a class of candidate designer materials that can be used in various quantum optics applications. 

BSc in Chemical Engineering, The University of Alabama

Fathya Salih

I study the behavior of ionic liquids under electric fields in order to design specialized solvents and separation techniques for recovering critical materials like rare earth elements. These explorations will be expedited using machine learning structure-property models trained with novel low cost techniques.

BSc in Chemical Engineering, National University of Science and Technology, Oman

MSc in Chemical Engineering, Texas A&M University at Qatar

Faraj Al-Badani

My research focuses on nanoengineering of phyllosilicates as novel gas sensing material for electronic nose applications. The purpose of the multidisciplinary research is to leverage advances in material science, electrochemistry, and computational techniques to employ a smart gas sensing device to classify and quantify target analytes.

BSc in Chemical Engineering, University of California, Riverside

Vivian Okorie

My research focuses on artificial Intelligence and molecular modeling of materials for the biodetection of biomarkers for diagnosis and material screening for  electronic sensors

BSc in Chemical and Petroleum Engineering, University of Lagos, Nigeria

Ashiat Bakare

My research focuses on modeling single and multicomponent adsorption in nanoporous materials, primarily Metal Organic Frameworks (MOFs), using molecular dynamics and machine learning techniques. The goal is to develop innovative machine learning techniques based on Gaussian process regression to efficiently predict adsorption across various thermodynamic feature space and MOF space.

BSc in Petroleum and Gas Engineering, University of Lagos, Nigeria

Okolo (Precious) Chidera

My research focuses on using molecular simulations and machine learning to understand the solubility of refrigerants in deep eutectic solvents. This work aims to develop efficient separation techniques that contribute to sustainable refrigerant recovery and recycling. By uncovering key molecular interactions, I aim to explore deep eutectic solvents in depth, as they offer enhanced selectivity and performance, making them promising candidates for environmentally friendly refrigerant separation. My broader interests lie in the intersection of sustainable separation processes, and climate-conscious engineering solutions.

BSc in Oil and Gas Engineering, Kazan National Research Technological University, Russia

Yan Saltar

My current project consists of the design of novel porous materials such as metal organic frameworks (MOFs) and soft porous coordination polymers (SPCPs) for use in water pollutant removal.

BSc in Chemical Engineering, University of Puerto Rico, Mayagüez

Paul Amagada

My research focuses on the application of molecular simulation and machine learning to develop deep eutectic solvent (DES) electrolytes for flow battery applications. I am working on the development of active learning methods for activity coefficient prediction and solid-liquid equilibrium (SLE) phase diagram construction of DES systems. This approach minimizes experimental workload, accelerates the discovery of high-performance DES-based electrolytes, and contributes to next-generation energy storage solutions.

BSc in Oil and Gas Engineering, Kazan National Research Technological University, Russia

Fadeshola Shodipe-Dosunmu

I am working on the development of machine learning potentials for simulating deep eutectic liquids and energetic materials.

BSc in Petroleum and Gas Engineering, University of Lagos, Nigeria

 

Alumni

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Christian Villa Santos (MSc 2021)

Environmental Protection Agency

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Sanoj (Postdoc 2021-23)

University of Central Arkansas

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Dinis Abranches (PhD 2024)

Universidade de Aveiro

Ricardo García Cárcamo (Postdoc 2024-25)

Louisiana State University

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Krishnendu Mukherjee (PhD 2025)

The University of Texas at Austin

Fernando Carmona Esteva (PhD 2025)

University of Toronto

Etinosa James Osaro (PhD 2025)

PsiQuantum

 
 

Past Group Photos