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V

Veronika Jurásková

swiss federal institutes of technology domain

8H指数
26论文数
222被引数
收录论文 12
发表时间
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Active learning meets metadynamics: Automated workflow for reactive machine learning interatomic potentials主动学习与元动力学：反应性机器学习原子间势能的自动化工作流程
errDigital Discovery
IF5.6
err2025-10-30
err0
errOAAI
errValdas Vitartas; Hanwen Zhang; Veronika Jurásková; Tristan Johnston-Wood; Fernanda Duarte
err分享
err收藏
Discovering chemical structure: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAspuru-Guzik, Alan; Bechtel, Tim; Bernales, Varinia; Biggin, Philip C.; Bigi, Filippo; Borges Jr, Itamar; Briling, Ksenia R.; Cheung, Joshua; Collins, Christopher M.; Darmawan, Kevion K.; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Draxl, Claudia; Dyer, Matthew; Eardley-Brunt, Annabel; Evans, Rob; Fairlamb, Ian; Franklin, Barnabas A.; George, Janine; Goulding, Mark; Grundy, Joanna; Hafizi, Roohollah; Hakkennes, Matthijs; Hickey, Niamh; James, Gillian; Juraskova, Veronika; Kalikadien, Adarsh V.; Kapil, Venkat; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lederbauer, Magdalena; Lou, Yuchen; Mante, Eltjo; Marsh, Liam; Martin, Jennie; Middleton, Clelia; Nematiaram, Tahereh; Pare, Charles W. P.; Pasca, Bianca; Pickard, Chris J.; Ruscic, Branko; Ryder, Matthew R.; Savoie, Brett M.; Sun, Wenhao; Szczypinski, Filip T.; Taniguchi, Takuya; Torrisi, Steven; Vishnoi, Shubham; Walsh, Aron; Wang, Shirui
err分享
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Modelling ligand exchange in metal complexes with machine learning potentials
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err2
errOAAI
errJuraskova, Veronika; Tusha, Gers; Zhang, Hanwen; Schaefer, Lars V.; Duarte, Fernanda
err分享
err收藏
Capturing Dichotomic Solvent Behavior in Solute-Solvent Reactions with Neural Network Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-21
err0
errOAAI
errCelerse, Frederic; Juraskova, Veronika; Das, Shubhajit; Wodrich, Matthew D.; Corminboeuf, Clemence
err分享
err收藏
Modelling chemical processes in explicit solvents with machine learning potentials
errNATURE COMMUNICATIONS
IF15.7
err2024-07-20
err5
errOAAI
errZhang, Hanwen; Juraskova, Veronika; Duarte, Fernanda
err分享
err收藏
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-02-06
err1
errOAAI
errCelerse, Frederic; Wodrich, Matthew D.; Vela, Sergi; Gallarati, Simone; Fabregat, Raimon; Juraskova, Veronika; Corminboeuf, Clemence
err分享
err收藏
How Robust Is the Reversible Steric Shielding Strategy for Photoswitchable Organocatalysts?
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2022-06-28
err5
errOAAI
errGallarati, Simone; Fabregat, Raimon; Juraskova, Veronika; Inizan, Theo Jaffrelot; Corminboeuf, Clemence
err分享
err收藏
Assessing the persistence of chalcogen bonds in solution with neural network potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-19
err10
errOAAI
errJuraskova, Veronika; Celerse, Frederic; Laplaza, Ruben; Corminboeuf, Clemence
err分享
err收藏
Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-02-18
err8
errOAAI
errFabregat, Raimon; Fabrizio, Alberto; Engel, Edgar A.; Meyer, Benjamin; Juraskova, Veronika; Ceriotti, Michele; Corminboeuf, Clemence
err分享
err收藏
Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol以第一性原理精度模拟复杂混合物中的溶剂化和酸度: 苯酚中CH3SO3H和H2O2的情况
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-06-22
err31
errOAAI
errRossi, Kevin; Juraskova, Veronika; Wischert, Raphael; Garel, Laurent; Corminboeuf, Clemence; Ceriotti, Michele
err分享
err收藏
AMBER and CHARMM Force Fields Inconsistently Portray the Microscopic Details of Phosphorylation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-11-23
err24
PREAI
errVymetal, Jiri; Juraskova, Veronika; Vondrasek, Jiri
err分享
err收藏
Efficient Modeling of Liquid Phase Photoemission Spectra and Reorganization Energies: Difficult Case of Multiply Charged Anions
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2017-01-23
err11
PREAI
errRubesova, Martina; Juraskova, Veronika; Slavicek, Petr
err分享
err收藏

研究方向

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合作学者
合作期刊
A
Aron Walsh
H 指数: 126 · 论文数: 987
A
Alán Aspuru‐Guzik
H 指数: 114 · 论文数: 938
C
Chris J. Pickard
H 指数: 92 · 论文数: 512
G
Graeme M. Day
H 指数: 68 · 论文数: 496
C
Claudia Draxl
H 指数: 67 · 论文数: 538
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