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K

Kersti Hermansson

uppsala university

51H指数
320论文数
9.1K被引数
收录论文 95
发表时间
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Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity集群训练MLIPs在液体密度和扩散率方面的局限性
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-31
err0
errOAAI
errViktor Svahn; Ioan-Bogdan Magdău; Samuel P. Niblett; Gábor Csányi; Kersti Hermansson; Jolla Kullgren
err分享
err收藏
Machine-Learning Ice Spectra: From 1 to 256 Features
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-04
err0
errOAAI
errShokirbek Shermukhamedov; Jolla Kullgren; Daniel Sethio; Kersti Hermansson
err分享
err收藏
H2 over Nanoceria: Microkinetic Simulation of a TPR Experiment
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-11-01
err0
PREAI
errDu, Dou; Hermansson, Kersti; Broqvist, Peter; Kullgren, Jolla
err分享
err收藏
7Li NMR Chemical Shifts in Battery-Relevant Electrolytes: Ligand-Induced Shifts Cancel in Both Experiment and Calculation7Li核磁共振化学位移在电池相关电解质中的应用：配体诱导位移在实验和计算中均被抵消
errChemSusChem
IF6.6
err2025-09-19
err0
errOAAI
errDaniel Sethio; Philippe Bopp; Kersti Hermansson
err分享
err收藏
Molecular dynamics simulations of the sputtering of boron and boron oxide surfaces
errRSC ADVANCES
IF4.6
err2025-09-17
err0
PREAI
errShermukhamedov, Shokirbek; Maihom, Thana; Hermansson, Kersti; Probst, Michael
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
The entropic origin of the enhancement of liquid diffusion close to a neutral confining surface
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-03
err0
errOAAI
errAgosta, Lorenzo; Briels, Wim; Hermansson, Kersti; Dzugutov, Mikhail
err分享
err收藏
A polarizable valence electron density based force field for high-energy interactions between atoms and molecules用于原子与分子之间高能相互作用的基于可极化价电子密度的力场
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-21
err0
errOAAI
errRomero, Jose; Limao-Vieira, Paulo; Maihom, Thana; Hermansson, Kersti; Probst, Michael
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
Adsorption of Glycine on TiO2 in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy
errLANGMUIR
IF3.9
err2024-05-21
err2
errOAAI
errAgosta, Lorenzo; Fiore, Luca; Colozza, Noemi; Perez-Ropero, Guillermo; Lyubartsev, Alexander; Arduini, Fabiana; Hermansson, Kersti
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
H2O2(s) and H2O22H2O(s) crystals compared with ices: DFT functional assessment and D3 analysis
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-15
err4
errOAAI
errArismendi-Arrieta, Daniel J.; Sen, Anik; Eriksson, Anders; Broqvist, Peter; Kullgren, Jolla; Hermansson, Kersti
err分享
err收藏
Machine learning force fields for molecular liquids: Ethylene Carbonate/Ethyl Methyl Carbonate binary solvent分子液体的机器学习力场: 碳酸乙烯酯/碳酸甲乙酯二元溶剂
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2023-08-17
err13
errOAAI
errMagdau, Ioan-Bogdan; Arismendi-Arrieta, Daniel J.; Smith, Holly E.; Grey, Clare P.; Hermansson, Kersti; Csanyi, Gabor
err分享
err收藏
A New Mars-van Krevelen Mechanism for CO Oxidation on a Ti-Decorated MXene在Ti装饰的MXene上进行CO氧化的新的mars-van Krevelen机制
errADVANCED MATERIALS INTERFACES
IF4.4
err2023-08-10
err3
errOAAI
errZhang, Xilin; Peng, Qianqian; Chen, Lu; Lu, Zhansheng; Yang, Zongxian; Hermansson, Kersti
err分享
err收藏
Water on ceria{111}: Comparison between 23 experimental vibrational studies in the literature and new modeling
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-25
err0
errOAAI
errRoeckert, Andreas; Kullgren, Jolla; Sethio, Daniel; Agosta, Lorenzo; Hermansson, Kersti
err分享
err收藏
Water in Crystals: A Database for ML and a Knowledge Base for Vibrational Prediction
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-07-05
err0
errOAAI
errKullgren, Jolla; Rockert, Andreas; Hermansson, Kersti
err分享
err收藏
Origin of the Hydrophobic Behaviour of Hydrophilic CeO2亲水性CeO2疏水行为的起源
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2023-06-20
err10
errOAAI
errAgosta, Lorenzo; Arismendi-Arrieta, Daniel; Dzugutov, Mikhail; Hermansson, Kersti
err分享
err收藏
Toward an efficient f-in-core/f-in-valence switchable description for DFTB calculations of Ce 4f states in ceria
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-07
err1
PREAI
errKocmaruk, Bojana; Ammothum Kandy, Akshay Krishna; Hermansson, Kersti; Kullgren, Jolla; Broqvist, Peter
err分享
err收藏
CO oxidation on MXene (Mo2CS2) supported single-atom catalyst: A termolecular Eley-Rideal mechanismMXene (Mo2CS2) 负载的单原子催化剂上的CO氧化: 三分子eley-rideal机理
errCHINESE CHEMICAL LETTERS
IF8.9
err2023-02-01
err25
PREAI
errTalib, Shamraiz Hussain; Lu, Zhansheng; Bashir, Beenish; Hussain, Sajjad; Ahmad, Khalil; Khan, Salahuddin; Haider, Sajjad; Yang, Zongxian; Hermansson, Kersti; Li, Jun
err分享
err收藏
Predicting Frequency from the External Chemical Environment: OH Vibrations on Hydrated and Hydroxylated Surfaces
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-02
err6
errOAAI
errRockert, Andreas; Kullgren, Jolla; Hermansson, Kersti
err分享
err收藏

研究方向

暂无研究方向
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合作期刊
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William A. Goddard
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M
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H 指数: 131 · 论文数: 1.7K
J
Jean‐Marie Tarascon
H 指数: 119 · 论文数: 797
黎军 封面图
黎军 (Jun Li)
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