Entropy for Energy Laboratory

Workshops

Data-Driven Materials Modeling Workshop

Date: May 29 – 31, 2024

Join us for the first Data-Driven Materials Modeling Workshop, happening Wednesday, May 29, through Friday, May 31. This three-day workshop will have a distinct theme for each day with expert speaker seminars in the mornings followed by hands-on workshop sessions in the afternoons. The morning session targets researchers—both experimental and computational—looking to integrate data-driven approaches into their projects and includes a keynote from a leading expert on the topic, followed by a talk highlighting developments within Hopkins. The hands-on session targets students looking to learn implementation details led by graduate students and postdocs.

Welcome and Introduction

Presenter: Prof. Olexander Isayev

A welcome and a brief introduction about the Data-Driven Materials Modeling Workshop, followed by the AIMNet2.

Introduction of AFLOW

Presenter: Prof. Corey Oses

AFLOW-DFT

Presenter: Dr. Guotao Qiu

AFLOW-Prototype

Presenter: Xiao Xu

AFLOW-CHULL

Presenter: Tianhao Li

AFLOW-POCC

Presenter: Dr. Yuxiang Liu

AFLOW-ML

Presenter: Xiao Xu

Quantum Chemistry and Catalysis

Presenters: Prof. Brandon Bukowski, Prof. Tine Curk

Monte Carlo and Molecular Dynamics

Presenters: Prof. Brandon Bukowski, Prof. Tine Curk

Image of Data-Driven Materials Modeling Workshop