Experience Cloud-Based Simulations
for Your Next Materials Discovery

PhaseTree is a collaborative online materials simulation platform designed for materials scientists and engineers.

Get to Know PhaseTree

Multiscale Modeling Paradigm

PhaseTree's Approach

Enabling new multiscale modeling paradigm using AI.

- Density Functional Theory (DFT)

Solves Schrödinger equation to simulate materials properties on the atomic scale.

- Cluster Expansion

Captures the structure-energy relationship of materials in DFT data and enables fast statistical modeling.

- CALculation of PHAse Diagrams (CALPHAD)

Predicts stable material phases from simulation and experimental data.

- Phase Field

Predicts the microstructure evolution and macroscopic properties based on DFT and cluster expansion data.

- Artificial Intelligence

Glues all of them together to predict microstructure evolution based on the information from DFT and Cluster Expansion.

Latest News

A research paper on dendrite growth in Li batteries using PhaseTree has been published

March 2022

Title: Phase-Field Investigation of Lithium Electrodeposition at Different Applied Overpotentials and Operating Temperatures

M-ERA.NET 2021

March 2022

PhaseTree's project "Subtainable and Safe anode-free Na battery (SuSaNa)" has been selected for funding within the M-ERA.Net 2021 program.

EU H2020 project BIG-MAP

December 2021

PhaseTree's CLUSTER EXPANSION APP AND APIS (CANADA) project has been selected for the BIG-MAP Stakeholder Initiative.

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Product Screenshot

Battery Electrodes

Disorders in modern battery electrodes makes it challenging to understand their behavior. PhaseTree makes it easy to simulate order-disorder phase transition, open-circuit voltage profile and more!

Multicomponent Alloys

Interested in alloys that go beyond light doping? You can design alloys by analyzing stable phases with our Phase Diagram engine and simulate the microsctructure evolution with our Phase Field engine.

Dendrite Formation

Dendrite formation at the electrode surface is a leading cause of the battery failures. PhaseTree's Phase Field engine makes it easy to simulate the dendrite formation based on the material compositions and operating conditions.

Interested in knowing more about what PhaseTree can do for you?

Research Made Easy

Phase Diagram

Stable or unstable? Solid solution or phase separation? Wonder no more. You can see the phase diagram of you material composition using our Phase Diagram engine, powered by quantum simulations and AI.


Simulate microstructure evolution of your material using our Phase Field engine. Our easy and intuitive user interface allow both experts and non-specialists to gain deep insights!

Material Property

Wonder how the microstructure will result in the actual performance of your material? You can simulate many mechanical, electrical and thermal properties with a click of a button.