Anirudh Raju Natarajan

ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE

H指数:25

被引数:1,720

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Synthesizability, hardness, and stacking order in multicomponent transition metal carbides from machine-learned potentials

多组分过渡金属碳化物的可合成性、硬度和堆叠顺序：基于机器学习势能

npj Computational Materials

IF11.9

2026-10-170

OAAI

First-Principles Thermodynamics of Hydrogen Absorption in Binary C15 Laves Phases

二元C15 Laves相中氢吸收的第一性原理热力学

Chemistry of Materials

IF7

2026-01-070

OAAI

Modeling the equilibrium vacancy concentration in multi-principal element alloys from first-principles

基于第一性原理对多主元合金的平衡空位浓度进行建模

Acta Materialia

IF9.3

2025-11-270

OAAI

Configuring a Liquid State High-Entropy Metal Alloy Electrocatalyst

配置一种液态高熵金属合金电催化剂

Small

IF12.1

2025-06-170

OAAI

Constructing multicomponent cluster expansions with machine-learning and chemical embedding

利用机器学习和化学嵌入构建多组分团簇展开

NPJ COMPUTATIONAL MATERIALS

IF11.9

2025-03-060

First-principles thermodynamics of precipitation in aluminum-containing refractory alloys

含铝耐火合金中沉淀的第一性原理热力学

ACTA MATERIALIA

IF9.3

2024-08-010

Stabilizing Multi-Electron NASICON-Na1.5V0.5Nb1.5(PO4)3 Anode via Structural Modulation for Long-Life Sodium-Ion Batteries

通过结构调制稳定长寿命钠离子电池的多电子NASICON-Na1.5V0.5Nb1.5(PO4)3阳极

ADVANCED ENERGY MATERIALS

IF26

2024-03-083

PRE

CASM - A software package for first-principles based study of multicomponent crystalline solids

CASM-用于基于第一性原理的多组分结晶固体研究的软件包

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2023-01-0129

OAAI

Partitioning of Ca to metastable precipitates in a Mg-rare earth alloy

Mg-稀土合金中Ca与亚稳态沉淀物的分配

MATERIALS RESEARCH LETTERS

IF7.9

2022-11-037

Order parameters for antiferromagnetic structures: A first-principles study of iridium manganese

PHYSICAL REVIEW MATERIALS

IF3.4

2022-04-043

PRE

Six new transformation pathways connecting simple crystal structures and common intermetallic crystal structures

ACTA MATERIALIA

IF9.3

2021-12-0113

OAAI

Comparing crystal structures with symmetry and geometry

NPJ COMPUTATIONAL MATERIALS

IF11.9

2021-10-0733

Discovering hierarchies among intermetallic crystal structures

PHYSICAL REVIEW MATERIALS

IF3.4

2020-11-1021

PREAI

Scale bridging materials physics: Active learning workflows and integrable deep neural networks for free energy function representations in alloys

尺度桥接材料物理: 用于合金中自由能函数表示的主动学习工作流程和可集成的深度神经网络

COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING

IF7.3

2020-11-0118

OAAI

Crystallography, thermodynamics and phase transitions in refractory binary alloys

ACTA MATERIALIA

IF9.3

2020-11-0132

OAAI

Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys

将电子结构计算与多元合金中的广义堆垛层错能联系起来

NPJ COMPUTATIONAL MATERIALS

IF11.9

2020-06-1924

Machine learning the density functional theory potential energy surface for the inorganic halide perovskite CsPbBr3

PHYSICAL REVIEW B

IF3.7

2019-10-0220

OAAI

Toward an Understanding of Deformation Mechanisms in Metallic Lithium and Sodium from First-Principles

CHEMISTRY OF MATERIALS

IF7

2019-09-2520

PREAI

Machine learning materials physics: Integrable deep neural networks enable scale bridging by learning free energy functions

机器学习材料物理: 可集成的深度神经网络通过学习自由能函数实现规模桥接

COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING

IF7.3

2019-08-0181

OAAI

Stability and strain-driven evolution of β′ precipitate in Mg-Y alloys

ACTA MATERIALIA

IF9.3

2019-03-0169

OAAI

Anirudh Raju Natarajan

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