Open to opportunities

Макс Loh

@loh

Materials researcher and data analyst using DFT, MD, and ML to accelerate electrochemistry research pipelines with LLM automation.

Kazakhstan

Message

What I'm looking for

I’m looking for a research-focused role where I can combine DFT/MD, ML modeling, and automated LLM data curation to accelerate materials discovery, validate hypotheses with electrochemical testing, and improve scientific pipelines end-to-end.

I’m a detail-oriented Materials Researcher and Data Analyst bridging professional computational modeling, data-driven design, and empirical electrochemistry. I integrate DFT and Molecular Dynamics to model ion transport mechanisms and structural degradation, and I use Machine Learning Interatomic Potentials (MACE, CHGNet) to reduce computational overhead.

I extract actionable insights from high-dimensional scientific datasets—performing Rietveld structural refinement (JANA2020) from XPS, ICP-OES, and XRD—and I quantify ion diffusion kinetics using statistical modeling of GITT, EIS, and C-rate capability tests. Beyond research, I build LLM-driven automation pipelines (NotebookLM API, Hermes AI agent) for automated, highly specific data curation and technical text summarization.

Experience

Work history, roles, and key accomplishments

Current

Data Analyst & Computational Researcher

Current

Nazarbayev University

May 2022 - Present (4 years 2 months)

Spearheaded a data-driven design study for layered oxide cathodes by integrating DFT and molecular dynamics to model ion transport mechanisms and structural degradation. Used ML interatomic potentials and analyzed XPS/ICP-OES/XRD data with Rietveld refinement to quantify ion diffusion kinetics via GITT, EIS, and C-rate statistics.

Machine Learning Interatomic Potentials (MACE Data Design Molecular Dynamics Quantum ESPRESSO Rietveld Refinement (JANA2020)XRD Statistical Analysis GITT EIS C Rate Capability CHGNet

LLM & AI Automation Developer

Independent Project

Jan 2026 - Present (6 months)

Architected and deployed an automated daily information curation system using the Hermes AI agent and the NotebookLM API. Built a pipeline to synthesize and deliver customized technical summaries using prompt engineering and API integration.

Hermes AI Agent NotebookLM Prompt Engineering API Integration

Visiting Researcher

Sejong University

Jan 2024 - Present (2 years 6 months)

Conducted advanced data extraction and characterization on complex inorganic oxides using HRTEM and in-situ/ex-situ XRD to monitor and map phase transitions. Supported characterization workflows for layered inorganic materials.

Data Extraction HRTEM In Situ Ex Situ XRD

Education

Degrees, certifications, and relevant coursework

Nazarbayev University

Master of Science in Chemical and Materials Engineering, Chemical and Materials Engineering

2024 - 2026

Activities and societies: Thesis: Atomistic and engineering insights into layered oxide cathodes for SIBs; combined DFT, MD, and data-driven design.

M.Sc. in Chemical and Materials Engineering focusing on atomistic and engineering insights into layered oxide cathodes for sodium-ion batteries using DFT, molecular dynamics, and data-driven design.

Nazarbayev University

Bachelor of Engineering in Chemical and Materials Engineering, Chemical and Materials Engineering

2020 - 2024

Activities and societies: Data analyst & computational researcher (May 2022–present): layered cathode data-driven design; ML interatomic potentials; XPS/ICP-OES/XRD analysis with Rietveld refinement; GITT/EIS statistical modeling of diffusion kinetics.

B.Eng. in Chemical and Materials Engineering with hands-on computational research and data analysis applying DFT/MD modeling and statistical evaluation of electrochemical performance.