Yoona Yang Email & Phone Number

Los Angeles, California, United States

Livermore, California, United States

Studied a chemical process involving a complex series of reactions of heavy hydrocarbon molecules in soot inception• Built a predictive model of potential energy surfaces (PES) for heavy hydrocarbons using machine learning (ML) techniques coupled with automated quantum chemical computational capabilities. - Developed and demonstrated a deep neural network model of potential energy surface (NN PES) for CnHm and achieved the accuracy of density functional theory (DFT) level. -… Show more Studied a chemical process involving a complex series of reactions of heavy hydrocarbon molecules in soot inception• Built a predictive model of potential energy surfaces (PES) for heavy hydrocarbons using machine learning (ML) techniques coupled with automated quantum chemical computational capabilities. - Developed and demonstrated a deep neural network model of potential energy surface (NN PES) for CnHm and achieved the accuracy of density functional theory (DFT) level. - Implemented active learning strategy to generate targeted ab initio quantum chemistry computations to maximize expected information gain. - Developed and demonstrated the benefits of force-enhanced training for the NN PES model using both energy and force data. - Applied HPC workflow manager (Balsam and FireWorks) to our molecular geometry sampling system to enable parallel computing of a large number of single-point calculations on HPC. - Published open-source software tool for computing an atomic environment vector (AEV), its Jacobian and Hessian as a molecular representation for NN PES model input (https://github.com/sandialabs/aevmod).• Apply multilevel multifidelity (MLMF) methods to ML model to utilize quantum chemistry simulation results with various levels of theory. - Explored various approaches to decomposing the NN topology - Developed and demonstrated MLMF NN using several problems of increasing complexity, including simple algebraic test problems, elliptic PDEs for 2D advection-diffusion, and the limited library of PES for C5H5 using two levels of theory. Show less

Bethlehem, Pennsylvania

Supervisor: Professor Anand Jagota• Investigate an applicability of machine-learning and optimized computational framework in DNA and Single Wall Carbon Nanotubes (SWCNTs) system.• Develop a perception-based biosensing system to predict analytes condition in biofluid using machine learning technique.• Develop a coarse-grained (CG) DNA-SWCNT model for the energetics behind DNA based separation using Monte Carlo simulation and train the CG model using experimental data utilizing… Show more Supervisor: Professor Anand Jagota• Investigate an applicability of machine-learning and optimized computational framework in DNA and Single Wall Carbon Nanotubes (SWCNTs) system.• Develop a perception-based biosensing system to predict analytes condition in biofluid using machine learning technique.• Develop a coarse-grained (CG) DNA-SWCNT model for the energetics behind DNA based separation using Monte Carlo simulation and train the CG model using experimental data utilizing Bayesian optimization. Show less

Bethlehem, Pa

Advisor: Professor Anand Jagota • Investigate the sequence-specific interaction between DNA and Single Wall Carbon Nanotubes (SWCNTs).• Discover new recognition sequences based on experimental or physical observation using machine learning techniques.• Develop an automatic data-processing system to detect various analytes simultaneously using machine learning.• Quantify DNA/SWCNT hybrid properties by aqueous two phase (ATP) sorting.• Conduct molecular dynamic simulation to… Show more Advisor: Professor Anand Jagota • Investigate the sequence-specific interaction between DNA and Single Wall Carbon Nanotubes (SWCNTs).• Discover new recognition sequences based on experimental or physical observation using machine learning techniques.• Develop an automatic data-processing system to detect various analytes simultaneously using machine learning.• Quantify DNA/SWCNT hybrid properties by aqueous two phase (ATP) sorting.• Conduct molecular dynamic simulation to study on the sequence-specific structure at the molecular level using Gromacs.• Develop a physical model for the energetics behind DNA based separation using Monte Carlo simulation coupled with Bayesian optimization. Show less

Cleveland, Ohio

Advisor: Professor Roger French• Developed data analysis framework for spectra decomposition using principal component analysis (PCA) and partial leastsquare regression (PLSR) on time resolved optical spectra showing displacement by surfactant of DNA on different SWCNT species.• Developed an automated technique to analyze micro indentation load-displacement curve.

Gaithersburg, Maryland

Advisor: Dr. Ming Zheng• Conducted single chirality SWCNT separation by an aqueous two phase (ATP) system.

Seongbuk-Gu, Seoul, Korea

Supervisor: Dr. Myung-Suk Chun• Developed model to predict solute sorption behavior in polymer gel.• Investigated size-dependent cell separation based on hydrodynamic filtration utilizing microfluidic chip.

Mapo-Gu, Seoul, Korea

Advisor: Professor Won Sun Ryoo• Studied salinity gradient energy for electric power generation utilizing Reverse Electro-Dialysis (RED) and Pressure Retarded Osmosis (PRO).• Developed inorganic ion exchange membrane by modifying surface of porous alumina membranes.• Conducted numerical simulation on ion transport characteristics in nano-channel with surface charge. • Developed an effective method for bitumen production using CO2.

Mapo-Gu, Seoul, Korea

Advisor: Professor Won Sun Ryoo• Synthesized and characterized self-doped conducting polymers for resistive random-access memory (RRAM) application.

Mapo-Gu, Seoul, Korea

Advisor: Professor Young Sik Kim• Simulated and synthesized novel iridium(Ⅲ) complexes for organic light emitting devices(OLEDs).

Doctor Of Philosophy - Phd, Chemical And Biomolecular Engineering

Master Of Science - Ms, Chemical Engineering

Bachelor Of Science - Bs, Chemical Engineering