Songge Yang

worcester polytechnic institute

H指数:12

被引数:638

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Unraveling doping effects in LaCoO3 via machine learning-accelerated atomic simulations and active learning

通过机器学习加速的原子模拟和主动学习揭示LaCoO3中的掺杂效应

Acta Materialia

IF9.3

2026-08-010

OAAI

Substitutional effects at A- and B-sites in high-entropy ABO3 perovskites: Insights from machine learning-accelerated simulations and active learning

高熵ABO3钙钛矿中A位和B位的替代效应：来自机器学习加速模拟和主动学习的见解

Sustainable Materials and Technologies

IF9.2

2026-05-140

OAAI

Masgent: an AI-assisted materials simulation agent

Masgent: 一个AI辅助的材料模拟代理

Digital Discovery

IF5.6

2026-04-170

A Computational Framework for Interface Design Using Lattice Matching, Machine Learning Potentials, and Active Learning: A Case Study on LaCoO3/La2NiO4

基于晶格匹配、机器学习势函数和主动学习的界面设计计算框架：LaCoO3/La2NiO4案例研究

Materials Today Physics

IF9.7

2025-11-130

OAAI

Hybrid Doping Strategy with High-Entropy Cu/Fe Surface Modification and Zr Bulk Incorporation for Ni-Rich Cathodes

高熵Cu/Fe表面改性及Zr体相掺杂的混合掺杂策略用于Ni-富集正极材料

Advanced Functional Materials

IF19

2025-10-100

PRE

Chitosan-regulated TXRF for trace rubidium and cesium detection in high-salinity brine

壳聚糖调控的TXRF在高盐度卤水中痕量铷和铯的检测

Talanta

IF6.1

2025-07-250

PRE

Ab initio study on the effect of A-site doping on the stability, equilibrium volume, activation energy barrier, and oxygen diffusivity in La2-xAxNiO4+δ

第一性原理研究A位点掺杂对La₂₋ₓAxNiO₄₊δ稳定性、平衡体积、活化能势垒和氧扩散率的影响

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

IF8.3

2025-04-010

OAAI

High-entropy Li-rich layered oxide cathode for Li-ion batteries

高熵富锂层状氧化物锂离子电池正极材料

JOURNAL OF POWER SOURCES

IF7.9

2025-02-010

PRE

Ab initio investigations on the electronic properties and stability of Cu-substituted lead apatite (LK-99) family with different doping concentrations (x = 0, 1, 2)

MATERIALS TODAY COMMUNICATIONS

IF4.5

2023-12-017

OAAI

Ab Initio Modeling on The Thermodynamic and Temperature-Dependent Elastic Properties of Subsystems of The FCC FeNiCoCr Medium Entropy Alloys (MEAs)

从头开始模拟FCC FeNiCoCr中熵合金 (MEAs) 子系统的热力学和温度相关的弹性特性

ACTA MATERIALIA

IF9.3

2023-11-014

PRE

Ab initio studies on structural and thermodynamic properties of magnetic Fe

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2023-08-019

OAAI

A systematic ab initio study of vacancy formation energy, diffusivity, and ionic conductivity of Ln2NiO4+s (Ln=La, Nd, Pr)

JOURNAL OF POWER SOURCES

IF7.9

2023-08-0112

OAAI

Modeling assisted synthesis of Zr-doped Li3-xIn1-xZrxCl6 with ultrahigh ionic conductivity for lithium-ion batteries

锂离子电池用超高离子电导率Zr掺杂Li3-xIn1-xZrxCl6的建模辅助合成

JOURNAL OF POWER SOURCES

IF7.9

2023-02-0111

OAAI

Energy and mechanical properties predictions in Fe-Ni binary system by ab initio calculations

MATERIALS TODAY COMMUNICATIONS

IF4.5

2022-12-017

OAAI

MERS-CoV nsp1 regulates autophagic flux via mTOR signalling and dysfunctional lysosomes

Mers-cov nsp1通过mTOR信号和功能失调的溶酶体调节自噬通量

EMERGING MICROBES & INFECTIONS

IF7.5

2022-10-266

OAAI

Revisit the VEC criterion in high entropy alloys (HEAs) with high-throughput ab initio calculations: A case study with Al-Co-Cr-Fe-Ni system

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2022-09-0127

OAAI

Effect of chelating solubilization via different alkanolamines on the dissolution properties of steel slag

不同烷醇胺螯合增溶对钢渣溶解性能的影响

JOURNAL OF CLEANER PRODUCTION

IF10

2022-09-0128

PRE

A review of the design of high-entropy aluminum alloys: a pathway for novel Al alloys

JOURNAL OF MATERIALS SCIENCE

IF3.9

2021-04-2145

PREAI

Enthalpies and elastic properties of Ni-Co binary system by ab initio calculations and an energy comparison with the CALPHAD approach

MATERIALS TODAY COMMUNICATIONS

IF4.5

2020-06-0112

OAAI

Revisit the VEC rule in high entropy alloys (HEAs) with high-throughput CALPHAD approach and its applications for material design-A case study with Al-Co-Cr-Fe-Ni system

ACTA MATERIALIA

IF9.3

2020-06-0194

OAAI

Songge Yang

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