Lower the complexity of research,
lift the value of data.
VirtualLab makes materials simulation easier to start, and connects scattered computational and experimental data into a decision-making asset for your research team.
Hard methods. Scattered data. Heavy operations.
These are the three barriers that have kept digital tools out of materials R&D. VirtualLab takes each one off your team's plate.
Simulation
DFT, MD, and CALPHAD without the entry barrier. Any researcher can run them on their own problem from a browser — no input cards, no Linux know-how.
- DFT · MD · CALPHAD in one place
- Web UI, no Linux required
- Templates by people who run them
Data
Experimental and computational data scattered across notebooks, drives, and people — pulled into one platform, structured, and kept for the long run.
- One place for all R&D data
- Long-term, durable storage
- Reuseable as the team's asset
High-performance computing
No procurement, no admins, no scheduler tuning. Use compute the way you use electricity — turn it on when you need it.
- Managed cloud HPC
- Tuned per solver
- Scale up on demand
Built by materials researchers, for materials research.
Research data accumulates from everyday work — no separate process required. Inverse design and active learning then lift that data into the next experiment.
Materials Square
DFT, MD, and CALPHAD from a browser. No Linux or compute environment to set up.
Product details → NewD3Square
AI-ready data from experiment design. Scattered records unified, then turned into the next experiment via inverse design.
Product details → HPCMAXFlops
Managed cloud HPC, tuned per solver. Burst capacity when in-house resources run short.
Product details →Upskill your team on the same tools they will ship with
Short, hands-on courses on Materials Square, DFT fundamentals, and data-driven materials design — delivered online or on-site.
See coursesWhere we deliver impact
Batteries & energy materials
Electrode screening, ion transport, electrolyte reactions.
Catalysts & surface science
Adsorption energy, NEB pathways, active-site discovery.
Semiconductors & devices
Defect energetics, band structure, doping effects.
Polymers & composites
MD/DPD workflows, formulation screening.
Your research, treated like ours.
Tell us what you are working on, what data you already have, and how you are computing today. We will map a starting point with you.