Johan A. Yapo, Ph.D.
Computational Chemistry and Materials Science Expert leveraging AIML for novel materials discovery
About
Publications
Education
University of California Riverside (UCR)
PhD in Physical Chemistry / 2025
University of Illinois Urbana-Champaign (UIUC)
BSc. in Chemistry / 2017
Experience
University of California, Riverside
Graduate Student Researcher / September, 2019 — June, 2025
Chemtool Incorporated
Quality control technician II / June, 2017 — July, 2019
Quality Control Technician II / June, 2017 — August, 2019
Applied meticulous attention to detail and instrument maintenance proficiency through regular calibrations and upkeep of sophisticated analytical equipment. Rigorously tested aerospace-grade lubricants against stringent specifications to ensure compliance with quality standards. Managed a fast-paced workflow with a cross-functional team of chemists and engineers performing up to 30 daily tests to ensure the quality and compliance of lubricants.
Optum Insight
Java developer intern / July, 2013 — August, 2013
UCR
Graduate Student Researcher / September, 2019 — June, 2025
Led the development of AIML methods to accelerate the discovery and design of novel magnetic inorganic materials focusing on predicting magnetic properties and generating actionable insights for materials development. Curated a comprehensive dataset of 8438 inorganic materials from the Materials Project Database, strategically extracting key chemical and structural descriptors for training advanced AI and Machine Learning models in a materials informatics workflow. Engineered and validated high-performance ML and AI algorithms including Graph Neural Networks (GNNs) Sequential Neural Networks (SNNs) XGBoost and Random Forest models achieving correlation coefficients of 0.90 significantly exceeding published benchmarks for similar materials prediction tasks. Executed high-throughput computational predictions on over 60000 theoretical compounds identifying 544 promising candidates for novel magnetic borides directly contributing to the data-driven design of functional materials relevant to advanced energy applications. Synthesized and characterized novel materials via arc-melting and x-ray diffraction to experimentally validate magnetic properties directly supporting the project's discovery pipeline. Contributed to an interdisciplinary team conducting ab-initio simulations to analyze catalytically active sites of inorganic materials relevant to energy applications. Bridged computational predictions with experimental efforts by providing critical computational insights that directly guided the synthesis and characterization of electro-catalysts leading to 6 peer-reviewed publications including a contribution to ACS Materials Letters. Developed a methodology to link structure-property relationships of crystalline materials to catalytic enhancement by calculating Hydrogen adsorption sites via VASP software for 10 Transition Metal Borides (TMBs) creating a robust dataset for inorganic electro-catalysts. Pioneered vacancy engineering as a novel design strategy for developing high-efficiency HER electro-catalysts through in-depth DFT and COHP bond analysis identifying key metal-metal metal-boron and boron-boron bond characteristics.
Teaching Assistant / September, 2020 — August, 2024
Created tailored lesson plans lectures and in-class activities for chemistry courses emphasizing inclusive pedagogical practices to support first-generation college students. Demonstrated leadership and cross-functional collaboration skills as a DEI practitioner advancing STEM accessibility and fostering an equitable research environment. Developed and implemented a rubric for teaching assistants to promote inclusive practices and equitable participation in introductory STEM laboratory courses resulting in improved student engagement and achievement.
University of Illinois at Chicago (UIC)
Volunteer Research Associate / May, 2025 — December
Co-developed a noninvasive biosensing device in a collaborative team of bioengineers and biochemists to enable early detection of pancreatic cancer. Engineered and deployed a machine learning pipeline utilizing Support Vector Machine (SVM) and Neural Network models to predict the risk of pancreatic cancer based on electrical impedance data of target biomarkers for biosensing applications. Expanded training dataset for neural networks by generating 3000 synthetic data points using generative AI principles leading to improved accuracy in pancreatic cancer screening.
UCR Office of Diversity Equity and Inclusion
Course Developer and Instructor / January, 2024 — June, 2024
Demonstrated leadership and collaboration skills as a DEI practitioner advancing STEM accessibility through the application of inclusive practices and cultural competence. Worked as part of a cross-functional team with the UCR School of Education and Office of DEI to develop curriculum and content for a new online DEI course tailored to international graduate students. Developed and delivered instructional materials to teach crucial DEI concepts to students with minimal prior experience strengthening communication and educational outreach skills.
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