What I Bring | Kuntal Talit

The connecting thread

I build across boundaries.

My path through enterprise software, materials engineering, physics, and AI lets me approach a scientific problem at more than one level: the research question, the computational method, and the system people need in order to use it reliably.

Materials physicsScientific computingAI & automationSoftware engineering

For industry

From difficult workflows to dependable systems

I can help teams where scientific complexity, computation, and software delivery meet.

Scientific workflow automation

I turn multi-step simulation processes into reliable, inspectable systems—from structure preparation and input generation to HPC execution, diagnosis, and analysis.

TritonDFT · VASP · Quantum ESPRESSO · Slurm

Research software that lasts

I bring enterprise-software discipline to scientific code: reproducibility, maintainability, error handling, documentation, and workflows designed for people beyond the original developer.

Five years at IBM · mainframe application development

A bridge between domain experts and engineers

I translate between materials physics, computational methods, machine learning, and software systems—helping multidisciplinary teams make technically sound decisions.

Physics · materials engineering · AI for science

For academia & national laboratories

Research that connects ideas, computation, and people

I contribute as both a computational researcher and a builder of reusable research infrastructure.

First-principles materials research

I design computational studies that connect atomic structure, electronic behavior, lattice dynamics, symmetry, strain, and experimentally measurable properties.

DFT · quantum materials · spectroscopy · defect physics

AI-assisted scientific discovery

I develop agentic tools that accelerate routine research work while keeping expert judgment, provenance, and scientific validation central to the workflow.

TritonDFT · autonomous research workflows

Teaching and research mentorship

I help students become independent computational researchers through conceptual teaching, practical simulation training, careful feedback, and reproducible working habits.

Physics · numerical methods · DFT · research mentoring

Where I may fit

Roles and collaborations

These titles vary across organizations, but they describe the kinds of problems and teams to which my background is best suited.

Research Scientist
Computational Materials Scientist
AI-for-Science Researcher
Scientific Software Engineer
Research Automation / HPC Engineer
Staff Scientist or Research Collaborator

Continue the conversation

Have a problem at the intersection of science and computation?

I would be glad to hear what you are building and where my experience might contribute.

Research depth. Engineering discipline.