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J

Jiří Hostaš

national research council canada

14H指数
54论文数
1.0K被引数
收录论文 16
发表时间
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Mode-resolved electron-phonon fingerprints map topological protection in lithium beyond born-Oppenheimer模分辨电子-声子指纹图谱揭示锂中超 Born-Oppenheimer 拓扑保护
errJournal of Physics-Condensed Matter
IF2.6
err2026-04-10
err0
errOAAI
errHu, Hang; Ooi, Hsu Kiang; Ghaemi, Mohammad S.; Lin, Junan; Hostas, Jiri; Yogendran, Boniface; Hu, Anguang
err分享
err收藏
Organophosphate Ethyl Paraoxon on Ag and Au Surfaces: A Density Functional Theory Perspective有机磷酸酯对氧基对氧磷在Ag和Au表面的研究：密度泛函理论视角
errphys. chem. chem. phys.
IF0
err2026-04-06
err0
errOAAI
errHang Hu; Jiří Hostaš; Mohammad Sajjad Ghaemi; Junan Lin; Shiliang Wang; Anguang Hu; Hsu Kiang Ooi
err分享
err收藏
Exploring Quantum Active Learning for Materials Design and Discovery探索量子主动学习在材料设计与发现中的应用
errphys. chem. chem. phys.
IF0
err2026-03-12
err0
PREAI
errMaicon Pierre Lourenço; Hadi Zadeh-Haghighi; Jiří Hostaš; Mosayeb Naseri; Daya Gaur; Christoph Simon; Dennis Salahub
err分享
err收藏
VNFlow: integration of variational autoencoders and normalizing flows for novel molecular designVNFlow: 变分自编码器与归一化流的集成，用于新颖分子设计
errJournal of Cheminformatics
IF5.7
err2025-10-26
err0
errOAAI
errJiří Hostaš; Mohammad S. Ghaemi; Hang Hu; Junan Lin; Anguang Hu; Hsu K. Ooi
err分享
err收藏
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce4-xNixO8-x (x=1, 2, 3)
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-03-29
err2
errOAAI
errHerrera, Lizandra Barrios; Lourenco, Maicon Pierre; Hostas, Jiri; Calaminici, Patrizia; Koester, Andreas M.; Tchagang, Alain; Salahub, Dennis R.
err分享
err收藏
Reinforcement learning for in silico determination of adsorbate-substrate structures
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-02-15
err0
PREAI
errLourenco, Maicon Pierre; Hostas, Jiri; Bellinger, Colin; Tchagang, Alain; Salahub, Dennis R.
err分享
err收藏
How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-10
err4
PREAI
errHostas, Jiri; Perez-Becerra, Kevin O.; Calaminici, Patrizia; Barrios-Herrera, Lizandra; Lourenco, Maicon Pierre; Tchagang, Alain; Salahub, Dennis R.; Koster, Andreas M.
err分享
err收藏
QMLMaterialA Quantum Machine Learning Software for Material Design and Discovery
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-08-15
err7
PREAI
errLourenco, Maicon Pierre; Herrera, Lizandra Barrios; Hostas, Jiri; Calaminici, Patrizia; Koester, Andreas M.; Tchagang, Alain; Salahub, Dennis R.
err分享
err收藏
GAMaterial-A genetic-algorithm software for material design and discovery
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-11-29
err12
PREAI
errLourenco, Maicon Pierre; Hostas, Jiri; Herrera, Lizandra Barrios; Calaminici, Patrizia; Koster, Andreas M.; Tchagang, Alain; Salahub, Dennis R.
err分享
err收藏
Selective binding of choline by a phosphate-coordination-based triple helicate featuring an aromatic box
errNATURE COMMUNICATIONS
IF15.7
err2017-10-16
err52
errOAAI
errJia, Chuandong; Zuo, Wei; Yang, Dong; Chen, Yanming; Cao, Liping; Custelcean, Radu; Hostas, Jiri; Hobza, Pavel; Glaser, Robert; Wang, Yao-Yu; Yang, Xiao-Juan; Wu, Biao
err分享
err收藏
Accurate DFT-D3 Calculations in a Small Basis Set
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-07-27
err81
PREAI
errHostas, Jiri; Rezac, Jan
err分享
err收藏
Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n=7, 8) and Cationic Diamondoids
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2017-02-21
err79
PREAI
errSigwalt, David; Sekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostas, Jiri; Ajani, Haresh; Hobza, Pavel; Mlinaric-Majerski, Kata; Glaser, Robert; Isaacs, Lyle
err分享
err收藏
A Nexus between Theory and Experiment: Non-Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]urilGuest Binding Interactions
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2016-10-10
err29
PREAI
errHostas, Jiri; Sigwalt, David; Sekutor, Marina; Ajani, Haresh; Dubecky, Matus; Rezac, Jan; Zavalij, Peter Y.; Cao, Liping; Wohlschlager, Christian; Mlinaric-Majerski, Kata; Isaacs, Lyle; Glaser, Robert; Hobza, Pavel
err分享
err收藏
Experimental and Theoretical Study for the Assessment of the Conformational Stability of Polymethylene-Bridged Heteroaromatic Dimers: A Case of Unprecedented Folding
errCRYSTAL GROWTH & DESIGN
IF3.4
err2016-01-27
err10
PREAI
errRai, Sunil K.; Singh, Praveen; Kumar, Ranjeet; Tewari, Ashish K.; Hostas, Jiri; Gnanasekaran, Ramachandran; Hobza, Pavel
err分享
err收藏
Representative Amino Acid Side-Chain Interactions in Protein-DNA Complexes: A Comparison of Highly Accurate Correlated Ab Initio Quantum Mechanical Calculations and Efficient Approaches for Applications to Large Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-08-06
err23
PREAI
errHostas, Jiri; Jakubec, David; Laskowski, Roman A.; Gnanasekaran, Ramachandran; Rezac, Jan; Vondrasek, Jiri; Hobza, Pavel
err分享
err收藏
Large-Scale Quantitative Assessment of Binding Preferences in Protein-Nucleic Acid Complexes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-03-19
err12
PREAI
errJakubec, David; Hostas, Jiri; Laskowski, Roman A.; Hobza, Pavel; Vondrasek, Jiri
err分享
err收藏

研究方向

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合作学者
合作期刊
P
Pavel Hobza
H 指数: 115 · 论文数: 704
L
Lyle Isaacs
H 指数: 76 · 论文数: 333
D
Dennis R. Salahub
H 指数: 74 · 论文数: 410
P
Peter Y. Zavalij
H 指数: 74 · 论文数: 1.1K
R
Roman A. Laskowski
H 指数: 58 · 论文数: 218
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