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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

Revisiting the Maximum Symmetry Principle with Outer-Double Clusters

finite_sized_horizontal

Templating Nematic Arrangement of DNA Origami

image

Completed Project

Tunable Patterning of DNA Origami on Surfaces using Steric Brushes

Angewandte Chemie, 2026

image
DNA origami rods self-assemble into nematic patterns on surfaces, and their pattern is set pretty early.

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

repo

Figure_6-4_github

Controlling the Dynamics of Polymer-Integrated Protein Crystals

repo | JACS, 2026

table_of_content_ferritin

Inverse Design of Granular Hydrogels for Programmable Drug Release

NeurIPS AI for Materials, 2025

compressed_gran_fig

Mechanical Properties of Self-Assembled MOFs Monolayers

JACS, 2025

MOF_pull_figure

Deep Inverse Design of Patchy Polygonal Particles for Assembly of Superlattices

repo | NeurIPS AI for Materials, 2023

Interactive exploration of structural descriptor embeddings

image

Controlling Silicification on DNA Origami with Polynucleotide Brushes

JACS, 2023

Interfacial Assembly of Polymer-Grafted MOF

ACS Nano, 2022

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Pinned Loading

  1. dNA dNA Public

    Inverse design on patchy tiles for superlattice assembly using discrete Neural Adjoint (dNA) method

    Python

  2. glotzerlab/hoomd-blue glotzerlab/hoomd-blue Public

    Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

    C++ 448 173

  3. 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

  4. 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

  5. ga-force-field-optimization ga-force-field-optimization 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

  6. MC_lattice_network MC_lattice_network Public

    Monte Carlo simulation of spring (fcc) networks.

    Python