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1. (WO2019045320) METHOD AND ELECTRONIC DEVICE FOR PREDICTING ELECTRONIC STRUCTURE OF MATERIAL
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Pub. No.: WO/2019/045320 International Application No.: PCT/KR2018/009278
Publication Date: 07.03.2019 International Filing Date: 13.08.2018
IPC:
G06F 17/50 (2006.01) ,G06F 17/16 (2006.01) ,G06N 99/00 (2010.01)
G PHYSICS
06
COMPUTING; CALCULATING; COUNTING
F
ELECTRIC DIGITAL DATA PROCESSING
17
Digital computing or data processing equipment or methods, specially adapted for specific functions
50
Computer-aided design
G PHYSICS
06
COMPUTING; CALCULATING; COUNTING
F
ELECTRIC DIGITAL DATA PROCESSING
17
Digital computing or data processing equipment or methods, specially adapted for specific functions
10
Complex mathematical operations
16
Matrix or vector computation
G PHYSICS
06
COMPUTING; CALCULATING; COUNTING
N
COMPUTER SYSTEMS BASED ON SPECIFIC COMPUTATIONAL MODELS
99
Subject matter not provided for in other groups of this subclass
Applicants:
한국과학기술연구원 KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY [KR/KR]; 서울시 성북구 화랑로14길 5 5, Hwarang-ro 14-gil, Seongbuk-gu, Seoul 02792, KR
Inventors:
한상수 HAN, Sang Soo; KR
여병철 YEO, Byung Chul; KR
김동훈 KIM, Dong Hun; KR
김승철 KIM, Seung Chul; KR
Agent:
리앤목 특허법인 Y.P.LEE, MOCK & PARTNERS; 서울시 강남구 언주로 30길 13 대림아크로텔 12층 12F Daelim Acrotel, 13 Eonju-ro 30-gil Gangnam-gu, Seoul 06292, KR
Priority Data:
10-2017-010885028.08.2017KR
10-2018-008426919.07.2018KR
10-2018-008427019.07.2018KR
Title (EN) METHOD AND ELECTRONIC DEVICE FOR PREDICTING ELECTRONIC STRUCTURE OF MATERIAL
(FR) PROCÉDÉ ET DISPOSITIF ÉLECTRONIQUE PERMETTANT DE PRÉDIRE UNE STRUCTURE ÉLECTRONIQUE DE MATÉRIAU
(KO) 소재의 전자 구조를 예측하는 방법 및 전자 장치
Abstract:
(EN) An embodiment of a method for an electronic device to predict the electronic structure of a material comprises: a step for receiving user input data related to elements constituting the first material; a step for applying the received input data to a learning model for estimating the density of states of the first material; and a step for outputting a first graph indicating the density of states, at each energy level of the first material, output from the learning model, wherein the learning model may be a model that has learned to generate the first graph on the basis of: pre-input data about a plurality of second materials composed of at least a portion of the plurality of elements constituting the first material; and a plurality of second graphs indicating the density of states at each of the respective energy levels of each of the plurality of second materials.
(FR) Selon un mode de réalisation, la présente invention concerne un procédé pour un dispositif électronique permettant de prédire la structure électronique d'un matériau, comprenant : une étape consistant à recevoir des données d'entrée d'utilisateur associées à des éléments constituant le premier matériau ; une étape consistant à appliquer les données d'entrée reçues à un modèle d'apprentissage permettant d'estimer la densité d'états du premier matériau ; et une étape consistant à produire un premier graphique indiquant la densité d'états, à chaque niveau d'énergie du premier matériau, produit par le modèle d'apprentissage, le modèle d'apprentissage pouvant avoir appris à générer le premier graphique sur la base : de données pré-entrées concernant une pluralité de seconds matériaux composés d'au moins une partie de la pluralité d'éléments constituant le premier matériau ; et d'une pluralité de seconds graphiques indiquant la densité d'états à chacun des niveaux d'énergie respectifs de chaque matériau de la pluralité de seconds matériaux.
(KO) 전자 장치가 소재의 전자 구조를 예측하는 방법의 일 실시예는, 상기 제1 소재를 구성하는 원소들에 관련된 사용자의 입력 데이터를 수신하는 단계, 상기 수신된 입력 데이터를, 상기 제1 소재의 상태 밀도를 추정하기 위한 학습 모델에 적용하는 단계 및 상기 학습 모델로부터 출력되는 상기 제1 소재의 에너지 준위 별 상태 밀도를 나타내는 제1 그래프를 출력하는 단계를 포함하며, 상기 학습 모델은, 상기 제1 소재를 구성하는 복수의 원소들 중 적어도 일부로 구성된 복수의 제2 소재들에 대한 기 입력된 데이터 및 상기 복수의 제2 소재들 각각의 에너지 준위 별 상태 밀도를 나타내는 복수의 제2 그래프에 기초하여, 상기 제1 그래프를 생성하도록 학습된 것일 수 있다.
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Designated States: AE, AG, AL, AM, AO, AT, AU, AZ, BA, BB, BG, BH, BN, BR, BW, BY, BZ, CA, CH, CL, CN, CO, CR, CU, CZ, DE, DJ, DK, DM, DO, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, GT, HN, HR, HU, ID, IL, IN, IR, IS, JO, JP, KE, KG, KH, KN, KP, KW, KZ, LA, LC, LK, LR, LS, LU, LY, MA, MD, ME, MG, MK, MN, MW, MX, MY, MZ, NA, NG, NI, NO, NZ, OM, PA, PE, PG, PH, PL, PT, QA, RO, RS, RU, RW, SA, SC, SD, SE, SG, SK, SL, SM, ST, SV, SY, TH, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, ZA, ZM, ZW
African Regional Intellectual Property Organization (ARIPO) (BW, GH, GM, KE, LR, LS, MW, MZ, NA, RW, SD, SL, ST, SZ, TZ, UG, ZM, ZW)
Eurasian Patent Office (AM, AZ, BY, KG, KZ, RU, TJ, TM)
European Patent Office (EPO) (AL, AT, BE, BG, CH, CY, CZ, DE, DK, EE, ES, FI, FR, GB, GR, HR, HU, IE, IS, IT, LT, LU, LV, MC, MK, MT, NL, NO, PL, PT, RO, RS, SE, SI, SK, SM, TR)
African Intellectual Property Organization (BF, BJ, CF, CG, CI, CM, GA, GN, GQ, GW, KM, ML, MR, NE, SN, TD, TG)
Publication Language: Korean (KO)
Filing Language: Korean (KO)