Artem R. Oganov

Skolkovo Institute of Science and Technology

H指数:85

被引数:3.4万

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LLM‐Assisted Design of Ultralow‐κ Chalcogenides

LLM辅助设计超低介电常数（κ）的硫属化合物

Advanced Science

IF14.1

2026-10-150

SSCHA-based evolutionary crystal structure prediction at finite temperatures with account for quantum nuclear motion

基于SSCHA的考虑量子核运动的有限温度下晶体结构预测

npj Computational Materials

IF11.9

2026-10-090

Structural evolution and combustion energy of Al-B clusters

Al-B簇的结构演变和燃烧能

Journal of Cluster Science

IF3.6

2026-08-270

PRE

Complex magnetic behavior in RuO2 thin films driven by strain and substrate effects

应变和衬底效应驱动的RuO2薄膜中的复杂磁性行为

Communications Materials

IF9.6

2026-07-240

Stabilizing active cobalt sites by interstitial carbon and nitrogen co-doping in metallic cobalt for efficient alkaline oxygen evolution reaction

通过金属钴中的间隙碳氮共掺杂稳定活性钴位点以实现高效碱性氧析出反应

Journal of Energy Chemistry

IF14.9

2026-05-050

PRE

Predicting the Curie temperature of magnetic materials with machine learning: Descriptor engineering, graph neural networks, and the role of curated data

利用机器学习预测磁性材料的居里温度：描述符工程、图神经网络和精选数据的作用

Computational Materials Science

IF3.3

2026-04-130

PRE

Surprises from a boron-rich semiconductor under pressure

高压下富硼半导体的惊喜

National Science Review

IF17.1

2026-03-090

Systematic Study of Boron–Nitrogen Molecules: Structures, Stability, and Potential as High-Energy-Density Materials

硼-氮分子的系统性研究：结构、稳定性及作为高能量密度材料的潜力

Journal of Cluster Science

IF3.6

2026-03-070

PRE

Thermal and mechanical properties of double perovskite-type Ba2YNbO6 ceramic

双钙钛矿型Ba₂YNbO₆陶瓷的热学和力学性能

Ceramics International

IF5.6

2026-02-220

PRE

Simple electronegativity-based model for predicting formation of stable compounds across the periodic table

基于电负性的简单模型，用于预测周期表中稳定化合物的形成

Nature Communications

IF15.7

2025-12-200

OAAI

Prediction of the crystal structure of avadomide using machine learning potentials and crystal engineering

利用机器学习势能和晶体工程预测avadomide的晶体结构

CrystEngComm

IF2.6

2025-11-250

PRE

Hydroxyl-induced structural reconstruction: Two new potassium hepta-borates with deep-UV transparency and enhanced birefringence

羟基诱导的结构重构：两种具有深紫外透明性和增强双折射的新型钾七硼酸盐

Inorg. Chem. Front.

IF6.4

2025-11-170

PRE

The impact of electronic correlations on the structural stability and spectral properties of ferrocene and polyferrocene under pressure

压力下电子关联对二茂铁和聚二茂铁的结构稳定性和光谱性质的影响

Phys. Chem. Chem. Phys.

IF2.9

2025-10-010

PRE

Acceleration of crystal structure relaxation with deep reinforcement learning

基于深度强化学习的晶体结构弛豫加速

npj Computational Materials

IF11.9

2025-09-240

OAAI

Computational screening for novel solid-state electrolytes in Li3MX6 composition

计算筛选Li3MX6组成的固态电解质

Journal of Energy Chemistry

IF14.9

2025-09-020

PRE

Synthon modularity in crystal structure prediction: designing pomalidomide polymorphs and co-crystals

晶格结构预测中的合成子模块化：设计泼尼多莫德多晶型物和共晶

CrystEngComm

IF2.6

2025-08-260

PRE

Tuning of mechanical properties of doped PbTe-based thermoelectric materials driven by intrinsic defects

通过本征缺陷调控的掺杂PbTe基热电材料力学性能的调谐

J. Mater. Chem. A

IF9.5

2025-08-220

PRE

Substrate-aware computational design of two-dimensional materials

面向衬底的二维材料计算设计

npj Computational Materials

IF11.9

2025-08-210

First-principles prediction of the structure and stability of boron-carbon clusters

基于第一性原理的硼-碳团簇结构与稳定性预测

Computational Materials Science

IF3.3

2025-05-240

PRE

Origin of A-type antiferromagnetism and chiral split magnons in altermagnetic α-MnTe

磁性 α-mnte中a型反铁磁性和手性分裂磁振子的起源

PHYSICAL REVIEW B

IF3.7

2025-03-121

PRE

Artem R. Oganov

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