Lead PI
Cai-Zhuang Wang
Distinguished Scientist
Ames National Laboratory
Leads the MLAMD Center and coordinates the integrated effort across AI/ML-guided discovery, exascale workflow development, materials theory, and synthesis-pathway prediction.
People
The team behind exascale AI for materials discovery
MLAMD brings together scientists from Ames National Laboratory and Los Alamos National Laboratory with complementary expertise in AI/ML, materials theory, atomistic simulation, workflow software, and high-performance computing.
Project team
People
Principal Investigator
Center leadership
Co-PIs
Thrust and scientific leadership
PI and Thrust 1 leader
Ying-Wai Li
Scientist
Los Alamos National Laboratory
Leads the exa-AMD thrust on scalable AI/ML-assisted materials discovery and workflow execution.
PI and Thrust 2 leader
Feng Zhang
Scientist II
Ames National Laboratory
Leads the exa-PD thrust on exascale phase-diagram construction and computational synthesis pathways.
PI
Vladimir Antropov
Senior Scientist
Ames National Laboratory
Contributes senior scientific leadership in magnetic materials theory and first-principles modeling.
PI
Yongxin Yao
Scientist III
Ames National Laboratory
Supports the center's computational materials science, first-principles validation, and theory-driven modeling.
PI
Ryan Richard
Scientist II
Ames National Laboratory
Contributes project leadership and computational science expertise across software, data, and workflow objectives.
Key Personnel
Workflow development and applications
Key person | exa-AMD
Weiyi Xia
Scientist I
Ames National Laboratory
Develops and applies exa-AMD workflows for AI/ML-guided discovery of magnetic and functional materials.
Key person | Project PI role
Zhuo Ye
Scientist I
Ames National Laboratory
Contributes to computational materials modeling, workflow development, and center research integration.
Key person | exa-AMD software
Maxim Moraru
Research Scientist
Los Alamos National Laboratory
Supports scalable software implementation and high-performance workflow execution for exa-AMD.
Research Team
Project researchers
PM
Postdoctoral researcher
Peter Minch
Postdoc
Ames National Laboratory
Contributes to project research, workflow development, and scientific applications across the center.
WT
Graduate researcher
Wei-Shen Tee
Graduate student
Iowa State University
Supports project research and computational materials workflows as part of the center team.
Advisory structure
Oversight and external guidance
Internal Oversight Committee
- James MorrisCRO, Ames National Laboratory
- Aimee HungerfordCCS Deputy Division Leader, Los Alamos National Laboratory
- Andrew DattelbaumMPA Division Leader, Los Alamos National Laboratory
- TBDDMSE Director, Ames National Laboratory
External Advisory Committee
- Giulia GalliUniversity of Chicago
- James R. ChelikowskyUniversity of Texas at Austin
- Renata WentzcovitchColumbia University
- Markus EisenbachOak Ridge National Laboratory