Research log

News & milestones

Presentations, publications, teaching, recognition, and career updates, newest first.

Presented at the 2026 Argonne Postdoctoral Research and Career Symposium

Presented research at Argonne National Laboratory's 2026 Postdoctoral Research and Career Symposium.

Fakhrul presenting at the 2026 Argonne Postdoctoral Research and Career Symposium

ParslBox presented at the APeX Summit

Delivered an oral presentation on ParslBox as a computational materials workflow executor for artificial intelligence agents on high-performance computing systems. Watch the talk

ParslBox presentation at the 2026 APeX Summit

Attended the GRC at Newry, Maine on Computational Materials Science and Engineering

Presented automated and agentic machine-learned interatomic potential development using ParslBox at the 2026 Gordon Research Conference on Computational Materials Science and Engineering.

Fakhrul presenting at the 2026 Gordon Research Conference

Mentored at the Intro to HPC Undergraduate Bootcamp

Co-led a molecular-property prediction project for undergraduate students and delivered a hands-on introduction to parallelization.

Participants in the 2026 Intro to HPC Undergraduate Bootcamp

Argonne Research Slam campus finalist

Selected as a campus finalist in Argonne National Laboratory's 2026 Research Slam.

Fakhrul at the 2026 Argonne Research Slam

Supported the Argonne Open House

Led tours of the Aurora supercomputer, managed a color-matching activity for children, and assisted visitors during Argonne's 2026 Open House.

Visitors and staff at the 2026 Argonne Open House

ParslBox paper accepted at AgenticAI4HPC

The ParslBox paper was accepted at AgenticAI4HPC 2026, an SC'26 Workshop. Citation

Overview of the ParslBox workflow system

Multi-agent workflow paper accepted at ISC-HPC

The paper on multi-agent orchestration for high-throughput materials screening on a leadership-class system was accepted at ISC-HPC'26. Citation

Graphic for the ISC-HPC paper on multi-agent materials screening

Molten FeCl₂ and FeCl₃ study published

The structure study combining high-energy X-ray diffraction, an empirical potential, and MLIPs was published in ACS Materials Au. DOI

Graphical abstract for the molten FeCl2 and FeCl3 study

Molten iron chlorides poster at MRS

Presented work on FeCl₂ and FeCl₃ structure using high-energy X-ray diffraction and machine-learned interatomic potentials at the 2026 MRS Spring Meeting.

Poster graphic for the 2026 MRS Spring Meeting

Invited MDPI webinar presentation

Presented MACE foundation MLIPs, their performance, applications, and fine-tuning in the webinar "Energy and Advanced Computing in the Age of Machine Learning: From Quantum to Grid."

Certificate from the MDPI Computation webinar

Redox-potential graph-neural-network study published

The study combining density functional theory and graph neural networks for Fe(II)/Fe(III) redox-potential prediction was published in Digital Discovery. DOI

Graphical abstract for the Fe(II) and Fe(III) redox-potential study

Redox graph-neural-network work presented at ECS

Delivered an oral presentation on graph neural network approaches for predicting redox potentials of transition-metal complexes at the 248th ECS Meeting.

Fakhrul at the 248th ECS Meeting

Completed ATPESC

Participated in the Argonne Training Program on Extreme-Scale Computing.

Participants at ATPESC 2025

Argonne seed funding as co-PI

Secured $50k in Argonne Laboratory Directed Research and Development seed funding as co-PI to develop vision-language models for cyclic-voltammetry analysis.

Graphic associated with Argonne LDRD seed funding

Joined Argonne National Laboratory

Joined the Computational Science Division as a postdoctoral researcher.

Argonne National Laboratory logo

Completed Ph.D. at UC Merced

Earned a Ph.D. in mechanical engineering after research on shear-driven mechanochemistry and tribology.

Fakhrul at his UC Merced graduation