We Solve Industry Problems Through Quantum Simulation

QSimulate is using innovative quantum simulation technology to solve industry problems.

Drug Discovery


Covalent Inhibitor Design

QSimulate’s simulation platform realizes, for the first time, rational design of covalent inhibitors—from warhead tuning to lead optimization.


Small-molecule Drug Screening

QSimulate’s technology enables first-of-a-kind quantum simulations of ligand-protein interactions applicable throughout the computational drug discovery pipeline.

Materials Design


Data Driven Materials Discovery

QSimulate provides a variety of business models to match customer computational expertise to maximize the value of experimental data.


Workflow Automation

QSimulate’s platform automates your workflows, freeing computational scientists from mundane tasks to enhance productivity.

Quantum Computing


Research Collaboration

QSimulate is a pioneer in integrating quantum chemistry and quantum computing. Let us show you how our platform can help improve your outcomes.


Quantum Software

Using its unique technologies, QSimulate provides specialized software for quantum computing applications.

Software for Academic Research

QSimulate-GENESIS integration provides unprecedented speed for QM/MM simulations to accelerate scientific discovery.

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