Your Path to Breakthroughs in Materials R&D  in Three Steps

INPUT

1 DEFINE

Easily input your desired material properties or target challenge through our intuitive interface. Quantistry’s platform supports candidate molecules, materials simulation, and high-level R&D goals.

Candidate Molecules or Materials

Target Properties & Constraints

High-Level Goal

(e.g., "Improve thermal stability")

OUR PLATFORM

2 PREDICT

Our AI engine determines the optimal computational pathway, orchestrating quantum mechanics, classical physics, and advanced ML/AI models to find the best candidates among millions of possibilities.

Intuitive Interface & Insights Dashboard

Quantistry materials simulation platform dashboard with intuitive interface and insights, showing workflows for polymers, battery materials, alloys, lubricants, and optics in AI-driven R&D.

AI Orchestration & Learning Layer

Determines optimal computational pathway

Quantistry AI orchestration and learning layer interface showing polymer glass transition simulation, with quantum and physics simulation engine and synthetic data for accurate, accelerated R&D

Quantum & Physics Simulation Engine

Embeds physical laws to ensure scientifically valid results

Synthetic Data

Augmentation and gap filling for faster convergence

OUTPUT

3 DECIDE

Receive clear, validated insights and data visualizations that guide your next R&D decision — not just raw data. With materials property prediction and AI-powered prediction models, Quantistry delivers actionable results that reduce uncertainty and accelerate innovation in digital R&D.

Optimized & Novel Material Candidates

Validated Insights

Not Raw Data

Clear Performance Predictions

Powered by a Uniquely Intelligent
Materials Intelligence Mix

AI-Driven Discovery

Rapidly screen millions of potential candidates with AI-powered predictions to identify high-promise materials that traditional methods would miss.

Physics-Based Validation

Ensure every prediction is scientifically sound. Our physics-based approach, rooted in quantum mechanics, molecular dynamics and experimental validation, prevents AI “hallucinations” and delivers industry-leading results.

Cloud-Native & Accessible

Put the power of a high-performance computing cluster in the hands of your R&D team. With Quantistry’s digital lab for materials, everything runs securely through a simple, browser-based interface.

Visualization of Quantistry’s Materials Intelligence Platform showing AI-driven discovery, physics-based validation, and cloud-native accessibility for materials R&D
Visualization of Quantistry’s Materials Intelligence Platform showing AI-driven discovery, physics-based validation, and cloud-native accessibility for materials R&D

Trusted by Industry Leaders

Joint R&D program

Optics

6
years

4
years

Batteries

“The rapid insights gained from Quantistry were beyond our expectations. It's rare to find a chemical simulation platform that so quickly becomes integral to our R&D work in battery materials”

Lubricants

4
years

Optoelectronics

2
years

Energy Tech

2
years

Batteries

1
year

Semiconductors

<1
year

Joint Publication Partner

Automotive

4
years

IR spectroscopy for street drugs

Public Sector

3
years

Joint R&D program

Aerospace

2
years

Novel Materials Program

Construction Materials

<1
year