Zachary D. McClure
Materials Science · Purdue University West Lafayette
Publications
16
Citations
178
Est. group size
~4
Recurring co-author estimate
Active years
10
Publishing since 2016
Zachary D. McClure works in materials science, using computational methods such as molecular dynamics simulations, machine learning, and active learning to study and predict material properties. Their work spans topics like high entropy alloys (metal mixtures with many elements), phase-change and amorphous materials, nanoparticle structures, and thermal transport, and more recently has extended into computational tools for drug discovery datasets and AI frameworks. The research combines simulation, data-driven modeling, and materials characterization to guide the design and selection of new materials.
Publication output over the last decade has been irregular, with occasional gaps followed by clusters of activity (e.g., 2020, 2022, 2024), suggesting a variable rather than steadily increasing or decreasing pace.
Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026
- Effects of carbon concentration on the local atomic structure of amorphous GST
The Journal of Chemical Physics · 2024
- PLINDER: The protein-ligand interactions dataset and evaluation resource
bioRxiv (Cold Spring Harbor Laboratory) · 2024
- BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery
arXiv (Cornell University) · 2024
- Active learning and molecular dynamics simulations to find high melting temperature alloys
Computational Materials Science · 2022
- Hierarchical Bayesian approach to experimental data fusion: Application to strength prediction of high entropy alloys from hardness measurements
Computational Materials Science · 2022
- Atomic Simulations of GST+C Phase Change Materials.
2022
- Active learning and molecular dynamics simulations to find high melting temperature alloys
arXiv (Cornell University) · 2021
- Orientation and morphology of Pt nanoparticles in γ-alumina processed via ion implantation and thermal annealing
Scripta Materialia · 2020
- Complexion dictated thermal resistance with interface density in reactive metal multilayers
Physical review. B./Physical review. B · 2020
- Expanding Materials Selection Via Transfer Learning for High-Temperature Oxide Selection
JOM · 2020
- Expanding materials selection via transfer learning for high-temperature\n oxide selection
arXiv (Cornell University) · 2020
- Role of electronic thermal transport in amorphous metal recrystallization: A molecular dynamics study
The Journal of Chemical Physics · 2018
- Processing and Characterization of Sol-Gel Cerium Oxide Microspheres
2016
- The Journal of Chemical Physics×3
- arXiv (Cornell University)×3
- Computational Materials Science×2
- Scripta Materialia×1
- Physical review. B./Physical review. B×1
- Veerupaksh Singla
Materials Science · Purdue University West Lafayette
- Qiyuan Zhao
Materials Science · Purdue University West Lafayette
- Robert J. Appleton
Materials Science · Purdue University West Lafayette
- Brett M. Savoie
Materials Science · Purdue University West Lafayette
- Frazier N. Baker
Materials Science · The Ohio State University
This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.
Last updated Jul 20, 2026.
Claim or correct this profile