主要研究方向 1. 機(jī)器學(xué)習(xí)勢(shì)函數(shù)、圖神經(jīng)網(wǎng)絡(luò)、深度學(xué)習(xí)和數(shù)據(jù)挖掘 Machine-learning interatomic potentials, graph neural network for materials design, data mining, and high-throughput computations 2. 高性能熱電材料設(shè)計(jì)與實(shí)現(xiàn) Advanced thermoelectric materials design in first-principles-based approach 3. 電-熱輸運(yùn)及電子-聲子輸運(yùn)物理 Transport physics of electrons/phonons 4. 有機(jī)能源材料機(jī)制研究及AI設(shè)計(jì) Mechanism research and AI design of inorganic/organic energy materials 5. 電/光催化材料和電池材料等方面研究 Electrocatalysis/photocatalysis materials, and battery materials 6. 電介質(zhì)材料物性研究及性能優(yōu)化 Physical properties and performance optimization of dielectric materials 7. 低維材料及界面耦合的新奇物性 Functionality of low-dimensional heterostructures