Posts by Collection
notes
portfolio
projects
NBA grand tour
An R project to visulize the NBA teams I have visited
Data science home
A collection of data science projects
Building a blog website using flask
A Python flask project to build a blog website
Ice cream food truck
A project to build a database for an ice cream food truck business
Big neuro + movement
A research project to tune mouse visual cortex neurons to movements leveraging DeepLabCut
Hoop or ball? customized object detection
A python project to detect hoops and balls in pictures
My personal website
A Github Pages application to build this personal website
Python playground
A collection of Python scripts with interesting applications
publications
Modeling Thermodynamic Properties of Isomeric Alkanes with a New Branched Equation of State
Published in Industrial & Engineering Chemistry Research, 2018
In this paper we present an extension of the statistical associating fluid theory (SAFT) for branched molecules with a Lennard-Jones dimer reference fluid (SAFTD-LJ-Branch). The theory successfully predicts how branched architecture affects the attraction and repulsion between molecules. SAFTD-LJBra… Read more
Density functional study of dendrimer molecules in solvents of varying quality
Published in the Journal of chemical physics, 2018
Modified inhomogeneous statistical associating fluid theory (iSAFT) density functional theory is extended to dendrimer molecules in solvents of varying quality. The detailed structures of isolated dendrimers in implicit solvent are calculated and have a semi-quantitative agreement with simulation re… Read more
Modeling Lower Critical Solution Temperature Behavior of Associating Dendrimers Using Density Functional Theory
Published in Langmuir, 2019
We study the phase behavior of associating dendrimers in explicit solvents using classical density functional theory. The existence of association enables uptake of solvent inside the dendrimer even for unfavorable Lennard-Jones interaction between the solvent and dendrimer. Depending on the distrib… Read more
An Efficient Algorithm for Molecular Density Functional Theory in Cylindrical Geometry: Application to Interfacial Statistical Associating Fluid Theory (iSAFT)
Published in Industrial & Engineering Chemistry Research, 2020
In this work, we present an efficient numerical algorithm for the solution of molecular density functional theory (DFT) in cylindrical geometry to facilitate the study of how curvature affects the microstructure and phase behavior of inhomogeneous fluids. The new solution algorithm is shown to have … Read more
Density functional study of one-and two-component bottlebrush molecules in solvents of varying quality
Published in Molecular Physics, 2020
Modified inhomogeneous statistical associating fluid theory (iSAFT) density functional theory is extended to bottlebrush polymers in both good and poor solvent. The detailed structures of side chains in the implicit solvent are calculated and have a semi-quantitative agreement with simulation. The a… Read more
talks
DFT Study of Dendrimers in Solvents
Published:
Modeling Conformational Properties of Branched Polymers from iSAFT Density Functional Theory
Published:
Modeling a Mixture of Multi-bonding Site Solute and Patchy Colloidal Solvent in Confined Systems
Published:
Modeling Side Chain Conformations of Bottlebrush Polymers from iSAFT Density Functional Theory
Published:
teaching
Teaching experience 1
Undergraduate course, University 1, Department, 2014
Teaching experience 2
Workshop, University 1, Department, 2015