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  6. Natural language DFT calculations AI agent 'LatticeMind'

Natural language DFT calculations AI agent 'LatticeMind'

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LatticeMind

last updated:Sep 08, 2026

ヒューリンクス
ヒューリンクス
  • Official site

AI agent that assembles DFT calculations in natural language.

LatticeMind is an AI agent for materials science. By simply communicating what you want to calculate in plain language, it automatically handles everything from workflow planning, building crystal and device structures, generating and validating solver input files, executing calculations on local or HPC clusters, to report generation. The core solver uses the density functional theory (DFT) solver RESCU.

    Other research softwareComputational ChemistryOther Software
bs-diamond_post19_20260603-768x668-1.png

Natural language DFT calculations AI agent 'LatticeMind'

bs-diamond_post19_20260603-768x668-1.png
bs-diamond_post19_20260603-768x668-1.png
  • Related Link - https://www.hulinks.co.jp/software/latticemind/

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basic information

- An interface that can be instructed in simple words - A self-repairing workflow - An accurate multi-step process - Three interfaces - AI models can be freely selected - Usable both locally and on HPC - Multilingual support - Self-descriptive projects □ For more details, click here □ (Go to the Hulinks page) https://www.hulinks.co.jp/software/latticemind/

Price information

□Request a Quote Here□ (Go to the Hyulinks page) https://www.hulinks.co.jp/contact/estimate/?select-new-software=%E3%81%9D%E3%81%AE%E4%BB%96&text-software-others=LatticeMind

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Please contact us for details

※The price and delivery time vary depending on the number of licenses and the type.

Applications/Examples of results

【Target Users】 LatticeMind is a product for users who seek results rather than building environments, specifically materials scientists, chemists, and engineers. There is no need to know the input syntax of RESCU or to be able to compile anything. If you can describe in words what you want to calculate, you can execute that calculation.

Detailed information

  • 1-enhanced-workflow-768x422-1.png

    Automated intuitive workflow

  • metal-dos_wf_post14_20260430-768x508-1.png

    Density of states calculations for multiple metals.

  • bs-diamond_post19_20260603-768x668-1.png

    Electronic band structure of diamond calculated using LatticeMind.

  • scal-struct-curves-minimas-3_post16_20260514-768x433-1.png

    Calculation of lattice constants in different atomic structures

Line up(3)

Model number overview
Cutting-edge general-purpose first-principles quantum transport package 'NanoDCAL' https://mono.ipros.com/product/detail/2001502195/
Spin Quantum Bit Finite Element Method Simulator "QTCAD" https://mono.ipros.com/product/detail/2001488379/
All-atom simulation 'RESCU' using density functional theory https://mono.ipros.com/product/detail/2001502186/

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ヒューリンクス

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Even in a rapidly changing world, the philosophy of HuLinks has not changed since its founding. The greatness of humanity lies in our ability to think, create, and carve out a new tomorrow. We aim to contribute to society by providing carefully selected solutions that support this remarkable human ability—intellectual creation—while also offering a more comfortable environment and enhancing productivity.

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