AUSTIN-ELLIS/

talks/posters/

Conference posters, 2025–2026

austin ~/austin-ellis $ ls talks/posters/

First page of the poster “An Effective Machine Learning Frame for Materials Discovery Structured by a Chemical Concept”

posters/superhydrides NeurIPS AI4Mat 2025 · GRC 2026

ML batched superhydrides

Template-guided machine learning for discovering stable complex metal superhydrides and prioritizing promising high-pressure superconducting candidates.

First page of the poster “Symmetry-Aware Prediction of Electron Localization Functions from Superposed Atomic Densities”

posters/elf-3dcnn NeurIPS AI4Mat 2025 · GRC 2026

Symmetry-aware ELF 3D-CNN

A periodic, symmetry-aware deep-learning model that predicts electron localization functions from superposed atomic densities for fast electronic-structure screening.

First page of the poster “Constructing Tunable Electrides on Monolayer TMDCs”

posters/tmdc-electrides

Tunable electrides in monolayer TMDCs

Vacancy-controlled electride behavior in 2D transition-metal dichalcogenides and the impact of localized interstitial electrons on catalytic hydrogen-evolution trends.

First page of the poster “Abnormal behavior of Cs polyoxides and core reaction under pressure”

posters/cs-polyoxides

Cs polyoxides and core reactivity under pressure

First-principles structure-search results showing pressure-induced breakdown of polyoxygen motifs in Cs-O compounds and activation of Cs core-level electrons in high-pressure bonding.

talks/slides/

Talks and seminar decks, 2025–2026

austin ~/austin-ellis $ ls talks/slides/

Title slide of the M.S. thesis defense, From New Chemistry to New Materials: Computational and Data-Driven Discovery

slides/thesis-defense CSU Northridge · 2026-05

M.S. thesis defense

Thesis defense deck for From New Chemistry to New Materials: Computational and Data-Driven Discovery, connecting quasi-atom chemistry, 2D electrides, high-pressure superhydrides, and ML-accelerated materials discovery.

Title slide of the APS talk on Seitz-invariant prediction of electron localization functions via a 3D CNN

slides/aps-2026 Denver · 2026-03

APS Global Physics Summit 2026

APS Denver talk on Seitz-invariant prediction of electron localization functions from superposed atomic densities using a 3D CNN.

Title slide of the Sigma Xi presentation on Seitz-invariant prediction of electron localization functions

slides/sigma-xi-2025 2025

Sigma Xi 2025 presentation

Research presentation on symmetry-aware electron-localization prediction and machine-learning-guided materials discovery workflows.

Title slide of the literature seminar Advancements in Machine Learned Interatomic Potentials

slides/lit-seminar-2025 CSUN · 2025-03

Department literature review seminar 2025

Literature review seminar covering recent computational and machine-learning advances relevant to electronic-structure modeling in materials chemistry.

talks/ornl/

Talks and posters from my ORNL internship, 2026

austin ~/austin-ellis $ cat talks/ornl/presented.log

presented.log Oak Ridge National Laboratory

2026-09  invited talk, NTI group meeting, CNMS
2026-08  talk, Neutron Scattering Division
2026-08  poster, CNMS User Meeting
2026-07  poster, NEAT initiative