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P

Patrick Rinke

technical university of munich

65H指数
336论文数
1.3W被引数
收录论文 120
发表时间
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Predicting temperature-dependent optoelectronic properties of semiconductor defects with equivariant neural networks利用等变神经网络预测半导体缺陷的温度依赖性光电性质
errnpj Computational Materials
IF11.9
err2026-05-01
err0
errOAAI
errZhu, Xiangzhou; Rinke, Patrick; Egger, David A.
err分享
err收藏
Leveraging active learning-enhanced machine-learned interatomic potential for efficient infrared spectra prediction利用主动学习增强的机器学习原子间势能进行高效红外光谱预测
errnpj Computational Materials
IF11.9
err2025-10-29
err0
errOAAI
errNitik Bhatia; Patrick Rinke; Ondřej Krejčí
err分享
err收藏
Predicting intersystem crossing rate constants of alkoxy-radical pairs with structure-based descriptors and machine learning基于结构描述符和机器学习预测烷氧基-自由基对的系间窜越速率常数
errPhys. Chem. Chem. Phys.
IF2.9
err2025-08-11
err0
errOAAI
errRashid R. Valiev; Rinat T. Nasibullin; Hilda Sandström; Patrick Rinke; Kai Puolamäki; Theo Kurten
err分享
err收藏
Machine learning accelerated descriptor design for catalyst discovery in CO2 to methanol conversion机器学习加速描述符设计用于CO2转化为甲醇的催化剂发现
errnpj Computational Materials
IF11.9
err2025-07-04
err0
errOAAI
errPrajwal Pisal; Ondřej Krejčí; Patrick Rinke
err分享
err收藏
Assessing the G 0 W 0 Γ 0 (1) Approach: Beyond G 0 W 0 with Hedin's Full Second-Order Self-Energy Contribution (vol 17, pg 5140, 2021)评估G 0 W 0 Γ 0 (1)方法：超越G 0 W 0包含Hedin完整二阶自能贡献（卷17，页5140，2021）
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-04-15
err0
PREAI
errWang, Yanyong; Rinke, Patrick; Ren, Xinguo
err分享
err收藏
Precision benchmarks for solids: G0W0 calculations with different basis sets实体的精度基准: 具有不同基础集的G0W0计算
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2025-02-01
err0
PREAI
errAzizi, Maryam; Delesma, Francisco A.; Giantomassi, Matteo; Zavickis, Davis; Kuisma, Mikael; Thyghesen, Kristian; Golze, Dorothea; Buccheri, Alexander; Zhang, Min-Ye; Rinke, Patrick; Draxl, Claudia; Gulans, Andris; Gonze, Xavier
err分享
err收藏
Technical note: Towards atmospheric compound identification in chemical ionization mass spectrometry with pesticide standards and machine learning
errATMOSPHERIC CHEMISTRY AND PHYSICS
IF5.1
err2025-01-17
err0
errOAAI
errBortolussi, Federica; Sandstrom, Hilda; Partovi, Fariba; Mikkila, Joona; Rinke, Patrick; Rissanen, Matti
err分享
err收藏
Active learning of molecular data for task-specific objectives
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-02
err0
errOAAI
errGhosh, Kunal; Todorovic, Milica; Vehtari, Aki; Rinke, Patrick
err分享
err收藏
Exploring noncollinear magnetic energy landscapes with Bayesian optimization探索非共线磁性能量景观的贝叶斯优化
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errBaumsteiger, Jakob; Celiberti, Lorenzo; Rinke, Patrick; Todorovic, Milica; Franchini, Cesare
err分享
err收藏
Enhancing Lignin-Carbohydrate Complexes Production and Properties With Machine Learning通过机器学习增强木质素-碳水化合物复合物的生产和特性
errCHEMSUSCHEM
IF6.6
err2024-12-06
err0
PREAI
errDiment, Daryna; Lofgren, Joakim; Alopaeus, Marie; Stosiek, Matthias; Cho, Mijung; Xu, Chunlin; Hummel, Michael; Rigo, Davide; Rinke, Patrick; Balakshin, Mikhail
err分享
err收藏
Enhancement of molecular circular dichroism with silver nanoparticles
errPHYSICAL REVIEW B
IF3.7
err2024-09-16
err0
PREAI
errHarkonen, Ville J.; Rossi, Tuomas P.; Kuisma, Mikael; Rinke, Patrick; Chen, Xi
err分享
err收藏
Structural Disorder by Octahedral Tilting in Inorganic Halide Perovskites: New Insight with Bayesian Optimization
errSMALL STRUCTURES
IF11.3
err2024-07-28
err0
errOAAI
errLi, Jingrui; Pan, Fang; Zhang, Guo-Xu; Liu, Zenghui; Dong, Hua; Wang, Dawei; Jiang, Zhuangde; Ren, Wei; Ye, Zuo-Guang; Todorovic, Milica; Rinke, Patrick
err分享
err收藏
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations
errPHYSICAL REVIEW B
IF3.7
err2024-06-03
err3
PREAI
errAzizi, Maryam; Wilhelm, Jan; Golze, Dorothea; Delesma, Francisco A.; Panades-Barrueta, Ramon L.; Rinke, Patrick; Giantomassi, Matteo; Gonze, Xavier
err分享
err收藏
The search for sparse data in molecular datasets: Application of active learning to identify extremely low volatile organic compounds
errJOURNAL OF AEROSOL SCIENCE
IF2.9
err2024-06-01
err4
errOAAI
errBesel, Vitus; Todorovic, Milica; Kurten, Theo; Vehkamaki, Hanna; Rinke, Patrick
err分享
err收藏
Machine-learning accelerated structure search for ligand-protected clusters
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-01
err0
PREAI
errFang, Lincan; Laakso, Jarno; Rinke, Patrick; Chen, Xi
err分享
err收藏
Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-01-11
err3
errOAAI
errDelesma, Francisco A.; Leucke, Moritz; Golze, Dorothea; Rinke, Patrick
err分享
err收藏
Data-Driven Compound Identification in Atmospheric Mass Spectrometry数据驱动的大气质谱化合物鉴定
errADVANCED SCIENCE
IF14.1
err2023-12-14
err2
errOAAI
errSandstrom, Hilda; Rissanen, Matti; Rousu, Juho; Rinke, Patrick
err分享
err收藏
Screening Mixed-Metal Sn2M(III)Ch2X3 Chalcohalides for Photovoltaic Applications (vol 35, pg 7761, 2023)
errCHEMISTRY OF MATERIALS
IF7
err2023-11-01
err0
errOAAI
errHenkel, Pascal; Li, Jingrui; Grandhi, G. Krishnamurthy; Vivo, Paola; Rinke, Patrick
err分享
err收藏
Screening Mixed-Metal Sn2M(III)Ch2X3 Chalcohalides for Photovoltaic Applications
errCHEMISTRY OF MATERIALS
IF7
err2023-09-14
err3
errOAAI
errHenkel, Pascal; Li, Jingrui; Grandhi, G. Krishnamurthy; Vivo, Paola; Rinke, Patrick
err分享
err收藏
Updates to the DScribe library: New descriptors and derivatives
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-20
err37
errOAAI
errLaakso, Jarno; Himanen, Lauri; Homm, Henrietta; Morooka, Eiaki V.; Jager, Marc O. J.; Todorovic, Milica; Rinke, Patrick
err分享
err收藏

研究方向

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