Konstantin Karandashev - Publications, H-index & Citations

Konstantin Karandashev

University of Vienna

4H指数

13论文数

108被引数

收录论文 6

发表时间

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

machine learning science and technology

IF0

2025-08-07

PREAI

Jan Weinreich; Konstantin Karandashev; Daniel Jose Arismendi Arrieta; Kersti Hermansson; O Anatole von Lilienfeld

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

MACHINE LEARNING-SCIENCE AND TECHNOLOGY

IF4.6

2024-06-06

OAAI

Heinen, 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

Evolutionary Monte Carlo of QM Properties in Chemical Space: Electrolyte Design

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-11-27

OAAI

Karandashev, Konstantin; Weinreich, Jan; Heinen, Stefan; Arrieta, Daniel Jose Arismendi; von Rudorff, Guido Falk; Hermansson, Kersti; von Lilienfeld, O. Anatole

An orbital-based representation for accurate quantum machine learning

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-03-15

OAAI

Karandashev, Konstantin; von Lilienfeld, O. Anatole

Accelerating equilibrium isotope effect calculations. II. Stochastic implementation of direct estimators

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-10-07

OAAI

Karandashev, Konstantin; Vanicek, Jiri