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K

Keith T. Butler

university college london

H指数:49

被引数:1.6万

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Interpretable substructure-based screening of multi-property polymer dielectrics with prompt-ready rules for rational design

基于可解释子结构的聚合物介电材料多属性筛选与理性设计的即时规则

npj Computational Materials

IF11.9

2026-09-280

OAAI

Multimodal fusion of complementary material representations for generalizable and interpretable property prediction

互补材料表示的多模态融合用于通用且可解释的性能预测

Cell Reports Physical Science

IF7.3

2026-08-280

OA

Band alignments of complex heterojunctions from first principles: the case of the α-Fe2O3/BaTiO3 interface

基于第一性原理的复杂异质结能带对齐：α-Fe2O3/BaTiO3界面的案例

journal of physics: materials

IF0

2026-05-050

OAAI

2026 roadmap toward sustainable thermoelectrics

2026年可持续热电材料发展路线图

Journal of Physics-Energy

IF6.3

2026-03-312

PRE

Bos, Jan-Willem G.; Mohanty, Trupti; Sparks, Taylor D.; Xie, Wenjie; Weidenkaff, Anke; Grasso, Salvatore; Zhang, Ruizhi; Reece, Michael J.; Wang, Teng; Son, Jae Sung; Akbar, Samina; Nandhakumar, Iris; Tuley, Richard; Koz, Cevriye; He, Ran; Ying, Pingjun; Bahrami, Amin; Pacheco, Vicente; Nielsch, Kornelius; Grau-Crespo, Ricardo; Antunes, Luis M.; Butler, Keith T.; Neophytou, Neophytos; Dutt, Rajeev; Sahni, Bhawna; Chauhan, Nagendra Singh; Mori, Takao; Parzer, M.; Garmroudi, F.; Riss, A.; Bauer, E.; Zeng, Chongyang; Bilotti, Emiliano; You, Chang; Fenwick, Oliver; Vaqueiro, Paz; Guilmeau, Emmanuel; Das, Animesh; Biswas, Kanishka; Liu, Yu; Fu, Chenguang; Zhu, Tiejun; Rogl, Gerda; Rogl, Peter; Mangelis, Panagiotis; Kyratsi, Theodora; Funahashi, Ryoji

Leveraging transfer learning for accurate estimation of ionic migration barriers in solids

利用迁移学习准确估计固体中的离子迁移势垒

npj Computational Materials

IF11.9

2026-02-020

OA

Self-optimizing machine learning potential assisted automated workflow for highly efficient complex systems material design

用于高效复杂系统材料设计的自优化机器学习潜力辅助自动化工作流程

npj Computational Materials

IF11.9

2026-01-260

OAAI

State-Constrained SHAP Distills Polymer Property Models into Transferable Structural Rules for Fixed-Interval Screening

状态约束的SHAP将聚合物性质模型提炼为适用于固定区间筛选的可转移结构规则

Journal of Chemical Information and Modeling

IF5.3

2026-01-010

OA

The carbon cost of materials discovery: Can machine learning really accelerate the discovery of new photovoltaics?

材料发现的碳成本：机器学习真的能加速新光伏材料的发现吗？

IF0

2025-12-050

OAAI

Two-dimensional graphene-like BeO sheet: a promising deep-ultraviolet nonlinear optical material with strong and highly tunable second harmonic generation

二维类石墨烯氧化铍片：一种具有强且高度可调谐二次谐波产生特性的有前景的深紫外非线性光学材料

Science China Materials

IF7.4

2025-11-060

PRE

Accelerating molecular dynamics by going with the flow

通过顺应流场加速分子动力学

Nature Machine Intelligence

IF23.9

2025-10-240

PRE

Machine learning for food colloids: Novel tools to advance fundamental understanding, stability, texture, and processability

机器学习用于食品胶体：推进基本理解、稳定性、质构和加工性能的新工具

Current Opinion in Colloid & Interface Science

IF7

2025-06-130

OA

On the use of clustering workflows for automated microstructure segmentation of analytical STEM datasets

IF4.5

2025-01-270

OA

Mapping inorganic crystal chemical space

FARADAY DISCUSSIONS

IF3.1

2025-01-014

OA

Optimal pre-train/fine-tune strategies for accurate material property predictions

NPJ COMPUTATIONAL MATERIALS

IF11.9

2024-12-200

OAAI

Crystal structure generation with autoregressive large language modeling

基于自回归大语言建模的晶体结构生成

NATURE COMMUNICATIONS

IF15.7

2024-12-060

OAAI

Setting standards for data driven materials science

为数据驱动的材料科学制定标准

NPJ COMPUTATIONAL MATERIALS

IF11.9

2024-10-010

OA

Predicting Colloidal Interaction Parameters from Small-Angle X-ray Scattering Curves Using Artificial Neural Networks and Markov Chain Monte Carlo Sampling

IF8.7

2024-09-091

OAAI

Obtaining parallax-free X-ray powder diffraction computed tomography data with a self-supervised neural network

用自监督神经网络获得无视差x射线粉末衍射计算机断层扫描数据

NPJ COMPUTATIONAL MATERIALS

IF11.9

2024-09-020

OA

Dual-Anion Strategy Induces Dual Enhancement Toward Ultrashort Phase-Matching Wavelength in Deep-UV Transparent d0 Transition Metal Oxyfluorides

ACS MATERIALS LETTERS

IF8.7

2024-02-231

PRE

Effects of Grain Boundaries and Surfaces on Electronic and Mechanical Properties of Solid Electrolytes

晶界和表面对固体电解质电子和机械性能的影响

ADVANCED ENERGY MATERIALS

IF26

2024-01-179

OAAI