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popolin522/README.md

Hi there 👋

I'm Po-An (Andy) Lin, a PhD candidate at Duke University working on ML for soft materials science and coarse-grained molecular dynamics simulation.

Ongoing Project

Templating Nematic Arrangement of DNA Origami

image

Organization of Brush-functionalized DNA Origami Nanorods

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Data-Driven Reconstruction of Interfacial free energy & Predictive Design of Self-Assembling Mesoscale Superlattices

Figure_6-4_github

Controlling the Dynamics of Polymer-Integrated Protein Crystals

Genuine_bridge

Completed Project

Inverse Design of Granular Hydrogels for Programmable Drug Release and Precision Medicine

compressed_gran_fig

Mechanical Properties of Self-Assembled MOFs Monolayers

JACS paper, 2025

MOF_pull_figure

Deep Inverse Design of Patchy Polygonal Particles for Assembly of Superlattices

NeurIPS AI for Materials, 2023

image

Controlling Silicification on DNA Origami with Polynucleotide Brushes

JACS paper, 2023

silicification-ezgif com-resize

Interfacial Assembly of Polymer-Grafted MOF

ACS Nano, 2022

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Pinned Loading

  1. BensonRen/DNA_origami_NA BensonRen/DNA_origami_NA Public

    Collab between Ben Ren and Poan Lin

    Python

  2. Genetic_Optimization_on_Potential_Parameter Genetic_Optimization_on_Potential_Parameter Public

    A tutorial / instructional code I developed for a project for undergrad students. They used genetic optimization on the potential parameters, developed by Sam (postdoc) in our group, to fit the bin…

    Jupyter Notebook

  3. Neuroevolutionary-project Neuroevolutionary-project Public

    Learn annealing strategies for anisotropic patchy particles to form well-ordered structures using reinforcement learning (Neuroevolutionary).

    Python

  4. Silicification_DNA_origami_brush_project Silicification_DNA_origami_brush_project Public

    Analysis and the configuration generator code for MD simulations of coarse-grained 6HB DNA origami. LAMMPS code not included

    Jupyter Notebook

  5. Zmesh Zmesh Public

    Scripts to mesh rigid nanoparticles for Z1+ algorithm. The scripts here can set up bonds between pairs of constituent atoms.

    Python 3

  6. Color-grid-with-constraints-like-an-engineer Color-grid-with-constraints-like-an-engineer Public

    Color grid with three colors while satisfying some distribution constraints (in an engineer way).

    Python