Chemist and PhD student in Applied Chemistry, working in theoretical physical chemistry and developing useful tools for scientific research.

About I am a chemist and PhD student in Applied Chemistry, focusing on theoretical physical chemistry and computational chemistry. My doctoral research uses density functional theory (DFT) to study the structure and reactivity of aluminum–titanium oxide clusters.

Alongside my research, I work on software projects related to computational chemistry and scientific visualization. Research interests

• Density functional theory and electronic structure.
• Structure, stability, and reactivity of molecular clusters.
• Conceptual DFT and electronic reactivity descriptors. Projects CADMIA Computational Agent-Driven Molecular Intelligence Architecture

An ongoing project to organize and automate computational chemistry tasks through agent-driven workflows, connecting molecular calculation tools with supporting utilities. VISQ Scientific visualization

A scientific visualization application under development. The source repository is private. LLM-assisted development I use LLM-based coding assistants to support implementation, debugging, and code exploration in my software projects. I review generated suggestions and test their behavior rather than treating them as a substitute for technical judgment. Computational chemistry tools

• Gaussian
• ORCA GitHub activity