logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
O

O. Anatole von Lilienfeld

university of toronto

57H指数
264论文数
1.7W被引数
收录论文 87
发表时间
logo
Hammett-Inspired Product Baseline for Data-Efficient Δ-ML in Chemical Space基于哈米特理论的产物基准：化学空间中数据高效的Δ-ML方法
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-01
err0
PREAI
errV. Diana Rakotonirina; Marco Bragato; Guido Falk von Rudorff; O. Anatole von Lilienfeld
err分享
err收藏
High-Tc superconductor candidates proposed by machine learning机器学习提出的高温超导体候选材料
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2025-09-30
err0
PREAI
errLee, Siwoo; Hattrick-Simpers, Jason; Kim, Young-June; von Lilienfeld, O. Anatole
err分享
err收藏
Calculated solvation and ionization energies for thousands of organic molecules relevant to battery design计算了与电池设计相关的数千种有机分子的溶剂化能和电离能
errmachine learning science and technology
IF0
err2025-08-07
err0
PREAI
errJan Weinreich; Konstantin Karandashev; Daniel Jose Arismendi Arrieta; Kersti Hermansson; O Anatole von Lilienfeld
err分享
err收藏
Alchemical harmonic approximation based potential for iso-electronic diatomics: Foundational baseline for Δ-machine learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-22
err0
PREAI
errKrug, Simon Leon; Khan, Danish; von Lilienfeld, O. Anatole
err分享
err收藏
The alchemical integral transform revisited
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-03
err0
errOAAI
errKrug, Simon Leon; von Lilienfeld, O. Anatole
err分享
err收藏
Alchemical insights into approximately quadratic energies of iso-electronic atoms
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-25
err2
errOAAI
errKrug, Simon Leon; von Lilienfeld, O. Anatole
err分享
err收藏
Reducing training data needs with minimal multilevel machine learning (M3L)通过最少的多级机器学习 (M3L) 减少训练数据需求
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-06-06
err6
errOAAI
errHeinen, Stefan; Khan, Danish; Falk von Rudorff, Guido; Karandashev, Konstantin; Arrieta, Daniel Jose Arismendi; Price, Alastair J. A.; Nandi, Surajit; Bhowmik, Arghya; Hermansson, Kersti; von Lilienfeld, O. Anatole
err分享
err收藏
Autonomous data extraction from peer reviewed literature for training machine learning models of oxidation potentials从同行评议的文献中自主提取数据，用于训练氧化电位的机器学习模型
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-03-21
err3
errOAAI
errLee, Siwoo; Heinen, Stefan; Khan, Danish; von Lilienfeld, O. Anatole
err分享
err收藏
Transferability of atomic energies from alchemical decomposition
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-02-06
err1
errOAAI
errSahre, Michael J.; von Rudorff, Guido Falk; Marquetand, Philipp; von Lilienfeld, O. Anatole
err分享
err收藏
Impact of noise on inverse design: the case of NMR spectra matching
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err1
errOAAI
errLemm, Dominik; von Rudorff, Guido Falk; von Lilienfeld, O. Anatole
err分享
err收藏
Combining Hammett σ constants for Δ-machine learning and catalyst discovery
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err1
errOAAI
errRakotonirina, V. Diana; Bragato, Marco; Heinen, Stefan; von Lilienfeld, O. Anatole
err分享
err收藏
Accelerated chemical science with AI用AI加速化学科学
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err23
errOAAI
errBack, Seoin; Aspuru-Guzik, Alan; Ceriotti, Michele; Gryn'ova, Ganna; Grzybowski, Bartosz; Gu, Geun Ho; Hein, Jason; Hippalgaonkar, Kedar; Hormazabal, Rodrigo; Jung, Yousung; Kim, Seonah; Kim, Woo Youn; Moosavi, Seyed Mohamad; Noh, Juhwan; Park, Changyoung; Schrier, Joshua; Schwaller, Philippe; Tsuda, Koji; Vegge, Tejs; von Lilienfeld, O. Anatole; Walsh, Aron
err分享
err收藏
Improved decision making with similarity based machine learning: applications in chemistry基于相似性的机器学习改进决策: 在化学中的应用
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-12-06
err6
errOAAI
errLemm, Dominik; Falk von Rudorff, Guido; Anatole von Lilienfeld, O.
err分享
err收藏
Evolutionary Monte Carlo of QM Properties in Chemical Space: Electrolyte Design
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-27
err1
errOAAI
errKarandashev, Konstantin; Weinreich, Jan; Heinen, Stefan; Arrieta, Daniel Jose Arismendi; von Rudorff, Guido Falk; Hermansson, Kersti; von Lilienfeld, O. Anatole
err分享
err收藏
Kernel based quantum machine learning at record rate: Many-body distribution functionals as compact representations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-18
err10
errOAAI
errKhan, Danish; Heinen, Stefan; von Lilienfeld, O. Anatole
err分享
err收藏
Encrypted machine learning of molecular quantum properties
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-04-27
err1
errOAAI
errWeinreich, Jan; von Rudorff, Guido Falk; von Lilienfeld, O. Anatole
err分享
err收藏
Quantum Alchemy Based Bonding Trends and Their Link to Hammett's Equation and Pauling's Electronegativity Model
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-03-02
err4
PREAI
errSahre, Michael J.; von Rudorff, Guido Falk; von Lilienfeld, O. Anatole
err分享
err收藏
Toward DMC Accuracy Across Chemical Space with Scalable ?-QML
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-01
err10
errOAAI
errHuang, Bing; von Lilienfeld, O. Anatole; Krogel, Jaron T.; Benali, Anouar
err分享
err收藏
Transition state search and geometry relaxation throughout chemical compound space with quantum machine learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-12-12
err13
errOAAI
errHeinen, Stefan; von Rudorff, Guido Falk; von Lilienfeld, O. Anatole
err分享
err收藏
GPU-accelerated approximate kernel method for quantum machine learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-12-06
err11
errOAAI
errBrowning, Nicholas J.; Faber, Felix A.; von Lilienfeld, O. Anatole
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
D
Donald G. Truhlar
H 指数: 187 · 论文数: 1.9K
M
Matthias Scheffler
H 指数: 133 · 论文数: 1.0K
A
Aron Walsh
H 指数: 126 · 论文数: 985
G
Gustavo E. Scuseria
H 指数: 125 · 论文数: 748
C
C. George
H 指数: 113 · 论文数: 1.1K
查看更多