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R

Roman V. Krems

University of British Columbia

43H指数
275论文数
7.4K被引数
收录论文 55
发表时间
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Molecular representations of quantum circuits for quantum machine learning量子机器学习中的量子电路分子表示
errMachine Learning-Science and Technology
IF4.6
err2026-04-01
err0
PREAI
errTorabian, Elham; Krems, Roman, V
err分享
err收藏
Neural network ensemble for computing cross sections of rotational transitions in H2O + H2O collisions神经网络集成用于计算H2O + H2O碰撞中转动跃迁的截面
errPhys. Chem. Chem. Phys.
IF0
err2025-10-21
err0
errOAAI
errBikramaditya Mandal; Dmitri Babikov; Phillip C. Stancil; Robert C. Forrey; Roman V. Krems; Naduvalath Balakrishnan
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Accurate machine learning of rate coefficients for state-to-state transitions in molecular collisions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-14
err0
PREAI
errMihalik, Darin E.; Wang, R.; Yang, B. H.; Stancil, P. C.; Price, T. J.; Forrey, R. C.; Balakrishnan, N.; Krems, R. V.
err分享
err收藏
Benchmarking of quantum fidelity kernels for Gaussian process regression
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-09-26
err0
errOAAI
errGuo, Xuyang; Dai, Jun; Krems, Roman, V
err分享
err收藏
Extrapolation of polaron properties to low phonon frequencies by Bayesian machine learning
errPHYSICAL REVIEW B
IF3.7
err2024-04-26
err0
errOAAI
errKairon, Pranav; Sous, John; Berciu, Mona; Krems, Roman, V
err分享
err收藏
Efficient interpolation of molecular properties across chemical compound space with low-dimensional descriptors使用低维描述符跨化学化合物空间的分子特性的有效插值
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-04-03
err0
errOAAI
errMao, Yun-Wen; Krems, Roman, V
err分享
err收藏
Neural network Gaussian processes as efficient models of potential energy surfaces for polyatomic molecules神经网络高斯过程作为多原子分子势能面的有效模型
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-11-10
err4
errOAAI
errDai, J.; Krems, R., V
err分享
err收藏
Compositional optimization of quantum circuits for quantum kernels of support vector machines
errPHYSICAL REVIEW RESEARCH
IF4.2
err2023-03-28
err8
errOAAI
errTorabian, Elham; Krems, Roman V.
err分享
err收藏
Universal expressiveness of variational quantum classifiers and quantum kernels for support vector machines
errNATURE COMMUNICATIONS
IF15.7
err2023-02-02
err23
errOAAI
errJaeger, Jonas; Krems, Roman V.
err分享
err收藏
Quantum Gaussian process model of potential energy surface for a polyatomic molecule
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-11
err9
errOAAI
errDai, J.; Krems, R. V.
err分享
err收藏
Gradient domain machine learning with composite kernels: improving the accuracy of PES and force fields for large molecules
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-11-25
err9
errOAAI
errAsnaashari, K.; Krems, R., V
err分享
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Bayesian optimization for inverse problems in time-dependent quantum dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-10-26
err13
errOAAI
errDeng, Z.; Tutunnikov, I.; Averbukh, I. Sh.; Thachuk, M.; Krems, R. V.
err分享
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Gaussian process model of 51-dimensional potential energy surface for protonated imidazole dimer
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-09-15
err31
errOAAI
errSugisawa, Hiroki; Ida, Tomonori; Krems, R., V
err分享
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Interpolation and Extrapolation of Global Potential Energy Surfaces for Polyatomic Systems by Gaussian Processes with Composite Kernels
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-01-21
err36
errOAAI
errDai, J.; Krems, R. V.
err分享
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Substituent effects on the Su-Schrieffer-Heeger electron-phonon coupling in conjugated polyenes
errPHYSICAL REVIEW B
IF3.7
err2019-12-19
err1
PREAI
errStauffert, Oliver; Walter, Michael; Berciu, Mona; Krems, Roman, V
err分享
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Six-dimensional potential energy surface for NaK-NaK collisions: Gaussian process representation with correct asymptotic form
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-02-13
err41
errOAAI
errChristianen, Arthur; Karman, Tijs; Vargas-Hernandez, Rodrigo A.; Groenenboom, Gerrit C.; Krems, Roman V.
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Effect of the anisotropy of long-range hopping on localization in three-dimensional lattices
errPHYSICAL REVIEW B
IF3.7
err2018-07-26
err16
errOAAI
errCantin, J. T.; Xu, T.; Krems, R. V.
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Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-03-15
err181
errOAAI
errKamath, Aditya; Vargas-Hernandez, Rodrigo A.; Krems, Roman V.; Carrington, Tucker, Jr.; Manzhos, Sergei
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A general method for controlling and resolving rotational orientation of molecules in molecule-surface collisions
errNATURE COMMUNICATIONS
IF15.7
err2017-05-08
err37
errOAAI
errGodsi, Oded; Corem, Gefen; Alkoby, Yosef; Cantin, Joshua T.; Krems, Roman V.; Somers, Mark F.; Meyer, Jorg; Kroes, Geert-Jan; Maniv, Tsofar; Alexandrowicz, Gil
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Phonon-mediated repulsion, sharp transitions and (quasi)self-trapping in the extended Peierls-Hubbard model
errSCIENTIFIC REPORTS
IF3.9
err2017-04-26
err20
errOAAI
errSous, J.; Chakraborty, M.; Adolphs, C. P. J.; Krems, R. V.; Berciu, M.
err分享
err收藏

研究方向

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