TAOS

The Alloy Optimization Software (TAOS) has been developed at LLNL to be a powerful, user-friendly tool that allows for computational design of optimal alloys on commodity computers.
Technology No. CP02758 / 2025-296

TAOS

Description

The Alloy Optimization Software (TAOS) has been developed at LLNL to be a powerful, user-friendly tool that allows for computational design of optimal alloys on commodity computers. It does not require users to have domain expertise in computational materials science.

On just commodity stand-alone computer hardware, TAOS allow users to design new materials with targeted properties (e.g., melting temperature, freezing range, phase formed) under applied constraints (e.g. phases to avoid, minimum melting temperature) in minutes to hours (depending on the constraint optimization criteria). Its intuitive graphical user interface (GUI) allows for rapid screening of desired alloy compositions from a large multidimensional composition space down to a manageable number of experimental targets. 

TAOS leverages CALPHAD (CALculation of PHAse Diagrams) thermodynamic databases, integrates the PyCalphad thermodynamic engine to work as a self-consistent software with unencrypted databases (details in documentation, including databases distributed with TAOS), and automatically interacts with the Thermo-Calc software and commercial databases through TC-python (being provided by www.thermocalc.com). Note that Thermo-Calc products are not included in TAOS.

The new TAOS V2.0 allows users to perform bi-objective optimization and Pareto front generation, bring their own custom and/or proprietary property models via a simple Python API, and conduct chemical sensitivity analysis around the optimized alloys to define composition specifications for industry adoption.

The technology is currently being packaged in a user-friendly way to allow for broad application as a commercial tool.  LLNL is seeking interested end user licensees.

TAOS

Advantages

TAOS is an easy-to-use, automated, cross-platform software with a GUI that supports rapid iteration for efficient screening of target compositions.
  • It can be run by non-specialists on commodity computers.
  • An approximately 10x reduced cost and at least 2x reduced time to market for alloy designs.
  • Automates the search for optimal alloys over a large multicomponent phase space. In comparison, typical competitive calculations are constrained to a single alloy composition per calculation and often a small numbers of alloy components.
  • Bring your own custom and/or proprietary model via easy Python API!
  • Bi-objective optimization, sensitivity analysis, and alloy databases included.
  • Offers a broader software compatibility and more features than currently available alloy design tools.

Applications

TAOS is tuned for applications in operational alloy development environment and is aimed at users engaged in alloy design and production using conventional and advanced manufacturing (AM).

TAOS Price List
LicenseTermCost per Seat
Software Evaluation
3-monthsFree
U.S. Academic/Research
1-year* / 5-year**
$3,600 / $9,000
U.S. Commercial
1-year* / 5-year**$4,800 / $12,000
Non-U.S. Academic/Research
1-year* / 5-year**$4,400 / $11,000
Non-U.S. Commercial
1-year* / 5-year**$5,600 / $14,000
U.S. Federal Government
PerpetualFree
U.S. Federal Government Contractors
Varies (government contract end date)
Free

*no upgrades included
**upgrades included for length of the term

  • expand_more cloud_download Supporting documents (2)
    TAOS Overview
    New features - TAOS V2.0 released!
    TAOS-One-Pager_LLNL-MI-2007225_V2.0.pdf (401 KB)
    TAOS User Manual
    TAOS_V2_User_Manual_11-26-25.pdf (4 MB)
    Additional files may be available once you've completed the transaction for this product. If you've already done so, please log into your account and visit My account / Downloads section to view them.
TAOS Software Evaluation License Agreement
Click "order now" to receive a free demo version of TAOS

Expires on : 3 months

Free of charge

TAOS U.S. Academic/Research License (1-year)
An educational institution that has been accredited by an authorized governmental agency within its applicable local, state or U.S. federal government and has the primary purpose of teaching its enrolled students. Such students who access and use the Software controlled by End User will operate under the End User’s license. *no upgrades included

Expires on : 1 year

Price per seat:
From $3,600.00 excl. TAX

TAOS U.S. Academic/Research License (5-year)
An educational institution that has been accredited by an authorized governmental agency within its applicable local, state or U.S. federal government and has the primary purpose of teaching its enrolled students. Such students who access and use the Software controlled by End User will operate under the End User’s license. **upgrades included for the length of the term

Expires on : 5 years

Price per seat:
From $9,000.00 excl. TAX

TAOS U.S. Commerical License (1-year)
An organization legally formed in and with its primary place of business located in the U.S. *no upgrades included

Expires on : 1 year

Price per seat:
From $4,800.00 excl. TAX

TAOS U.S. Commerical License (5-year)
An organization legally formed in and with its primary place of business located in the U.S. **upgrades included for the length of the term

Expires on : 5 years

Price per seat:
From $12,000.00 excl. TAX

TAOS Non-U.S. Academic/Research License (1-year)
An educational institution that has been accredited by an authorized governmental agency within its applicable local, state, provincial, federal or national government and has the primary purpose of teaching its enrolled students. *no upgrades included

Expires on : 1 year

Price per seat:
From $4,400.00 excl. TAX

TAOS Non-U.S. Academic/Research License (5-year)
An educational institution that has been accredited by an authorized governmental agency within its applicable local, state, provincial, federal or national government and has the primary purpose of teaching its enrolled students. **upgrades included for the length of the term

Expires on : 5 years

Price per seat:
From $11,000.00 excl. TAX

TAOS Non-U.S. Commercial License (1-year)
An organization not legally formed in in the U.S. *no upgrades included

Expires on : 1 year

Price per seat:
From $5,600.00 excl. TAX

TAOS Non-U.S. Commercial License (5-year)
An organization not legally formed in in the U.S. **upgrades included for the length of the term

Expires on : 5 years

Price per seat:
From $14,000.00 excl. TAX

TAOS U.S. Federal Government Employees
TAOS is available at no-cost for U.S. Federal Government employees

Term : perpetual

Price on approval

TAOS for U.S. Federal Government Contractors
TAOS is available at no-cost for work on U.S. Federal Government Contracts

Term : perpetual

Price on approval

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