CN112119466B - 电子密度推定方法、电子密度推定装置及电子密度推定程序 - Google Patents

电子密度推定方法、电子密度推定装置及电子密度推定程序 Download PDF

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CN112119466B
CN112119466B CN201980032737.2A CN201980032737A CN112119466B CN 112119466 B CN112119466 B CN 112119466B CN 201980032737 A CN201980032737 A CN 201980032737A CN 112119466 B CN112119466 B CN 112119466B
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electron density
density
predictor
input data
electron
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CN112119466A (zh
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若杉健介
森川幸治
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Panasonic Intellectual Property Management Co Ltd
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    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like
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    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C60/00—Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation
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    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/70—Machine learning, data mining or chemometrics

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CN201980032737.2A 2018-09-03 2019-08-20 电子密度推定方法、电子密度推定装置及电子密度推定程序 Active CN112119466B (zh)

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JP2018164752 2018-09-03
JP2018-164752 2018-09-03
PCT/JP2019/032350 WO2020049994A1 (ja) 2018-09-03 2019-08-20 電子密度推定方法、電子密度推定装置、及び電子密度推定プログラム

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WO2024034688A1 (ja) * 2022-08-10 2024-02-15 株式会社Preferred Networks 学習装置、推論装置及びモデル作成方法
US12587274B2 (en) 2023-03-28 2026-03-24 Quantum Generative Materials Llc Satellite optimization management system based on natural language input and artificial intelligence
US12368503B2 (en) 2023-12-27 2025-07-22 Quantum Generative Materials Llc Intent-based satellite transmit management based on preexisting historical location and machine learning
US12603701B2 (en) 2023-12-27 2026-04-14 Quantum Generative Materials Llc Distributed satellite constellation management and control system

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CN112119466A (zh) 2020-12-22
US20210110307A1 (en) 2021-04-15
WO2020049994A1 (ja) 2020-03-12
JP7442055B2 (ja) 2024-03-04

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