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Guido Falk von Rudorff

Universitat Kassel

18H指数
94论文数
1.3K被引数
收录论文 32
发表时间
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Representative Random Sampling of Chemical Space
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errMonterrubio-Chanca, Diego J.; von Rudorff, Guido Falk
err分享
err收藏
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
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
Optimal photoelectron circular dichroism of a model chiral system
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-03
err1
errOAAI
errvon Rudorff, Guido F.; Artemyev, Anton N.; Lagutin, Boris M.; Demekhin, Philipp V.
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
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
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
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
Relative energies without electronic perturbations via alchemical integral transform
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-26
err5
errOAAI
errKrug, Simon Leon; von Rudorff, Guido Falk; von Lilienfeld, O. Anatole
err分享
err收藏
SELFIES and the future of molecular string representations自拍和分子串表示的未来
errPATTERNS
IF7.4
err2022-10-01
err80
errOAAI
errKrenn, Mario; Ai, Qianxiang; Barthel, Senja; Carson, Nessa; Frei, Angelo; Frey, Nathan C.; Friederich, Pascal; Gaudin, Theophile; Gayle, Alberto Alexander; Jablonka, Kevin Maik; Lameiro, Rafael F.; Lemm, Dominik; Lo, Alston; Moosavi, Seyed Mohamad; Napoles-Duarte, Jose Manuel; Nigam, AkshatKumar; Pollice, Robert; Rajan, Kohulan; Schatzschneider, Ulrich; Schwaller, Philippe; Skreta, Marta; Smit, Berend; Strieth-Kalthoff, Felix; Sun, Chong; Tom, Gary; von Rudorff, Guido Falk; Wang, Andrew; White, Andrew D.; Young, Adamo; Yu, Rose; Aspuru-Guzik, Alan
err分享
err收藏
Ab initio machine learning of phase space averages
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-07-13
err6
errOAAI
errWeinreich, Jan; Lemm, Dominik; von Rudorff, Guido Falk; von Lilienfeld, O. Anatole
err分享
err收藏
Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-24
err4
errOAAI
errEikey, Emily A.; Maldonado, Alex M.; Griego, Charles D.; von Rudorff, Guido Falk; Keith, John A.
err分享
err收藏
Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-02-11
err8
errOAAI
errEikey, Emily A.; Maldonado, Alex M.; Griego, Charles D.; von Rudorff, Guido Falk; Keith, John A.
err分享
err收藏
Arbitrarily accurate quantum alchemy
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-12-08
err10
errOAAI
errvon Rudorff, Guido Falk
err分享
err收藏
Toward the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant space
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-08-10
err45
errOAAI
errHeinen, Stefan; von Rudorff, Guido Falk; von Lilienfeld, O. Anatole
err分享
err收藏
Machine learning based energy-free structure predictions of molecules, transition states, and solids
errNATURE COMMUNICATIONS
IF15.7
err2021-07-22
err61
errOAAI
errLemm, Dominik; von Rudorff, Guido Falk; von Lilienfeld, O. Anatole
err分享
err收藏
Elucidating an Atmospheric Brown Carbon Species-Toward Supplanting Chemical Intuition with Exhaustive Enumeration and Machine Learning
errENVIRONMENTAL SCIENCE & TECHNOLOGY
IF11.3
err2021-06-03
err7
errOAAI
errTapavicza, Enrico; von Rudorff, Guido Falk; De Haan, David O.; Contin, Mario; George, Christian; Riva, Matthieu; 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
B
Berend Smit
H 指数: 121 · 论文数: 794
A
Alán Aspuru‐Guzik
H 指数: 114 · 论文数: 938
C
C. George
H 指数: 113 · 论文数: 1.1K
K
Kevin M. Rosso
H 指数: 79 · 论文数: 709
A
Andrew Z. Wang
H 指数: 66 · 论文数: 530
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