Profile

Current Status

Joined CCL as Postdoctoral Research Fellow

October 20, 2025
I have joined the Computational Combustion Lab (CCL) at Marquette University. I am currently leading research on advanced microclimate modeling at a city-block scale and developing a novel CFD framework for optimizing load balancing in large-scale Lagrangian-Eulerian systems.


Major Announcement: PhD Dissertation Defended

June 23, 2025
"Fundamental Exploration of Soot Formation and Morphology from a Molecular Modeling Perspective".
My research utilizes reactive molecular dynamics (RMD) to investigate the physicochemical properties of incipient soot, bridging the gap between theoretical predictions and experimental results.


Recent Publications

Key research highlights from 2025-2026

PROC. COMBUST. INST.

SAGE ML Model

July 23, 2025
A novel machine learning model designed to automate the segmentation of primary particles in TEM images.

FUEL

Soot Surface Features

Feb 15, 2026
Elucidating pore features of soot nanoparticles using MD simulations to establish quantitative relationships.

AEROSOL RESEARCH

Soot Precursors

April 15, 2025
Investigation of soot precursor molecules during inception by acetylene pyrolysis using reactive MD.


Software & Tools

SAGE
Soot Aggregate Geometry Extraction

Machine learning for automated segmentation of TEM images.

ChronoCode
Secure 2FA Authenticator

Open-source, offline-first TOTP generator (PWA & Extension).

MAFIA-MD
Molecular Structure Analysis

Post-processing tool for analyzing fringe identification in MD.


Archive & Highlights

Dec 2024
Released ChronoCode, an open-source 2FA solution.
Oct 2024
Paper on Soot Evolution accepted in Fuel. [View]
Jun 2024
Paper on Internal Structure of Soot accepted in J. Phys. Chem A. [View]
Feb 2023
Awarded Richard W. Jobling Distinguished Research Assistantship.
Dec 2022
"Entangled Air" exhibition with Tomás Saraceno at Haggerty Museum.
Feb 2022
MAFIA-MD code paper accepted in Computer Physics Communications.

Khaled Mosharraf Mukut, Ph.D.
Postdoctoral Research Fellow | Marquette University

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