Jiří Hostaš

1.0k total citations
23 papers, 788 citations indexed

About

Jiří Hostaš is a scholar working on Materials Chemistry, Organic Chemistry and Computational Theory and Mathematics. According to data from OpenAlex, Jiří Hostaš has authored 23 papers receiving a total of 788 indexed citations (citations by other indexed papers that have themselves been cited), including 12 papers in Materials Chemistry, 6 papers in Organic Chemistry and 6 papers in Computational Theory and Mathematics. Recurrent topics in Jiří Hostaš's work include Machine Learning in Materials Science (10 papers), Computational Drug Discovery Methods (6 papers) and Crystallography and molecular interactions (6 papers). Jiří Hostaš is often cited by papers focused on Machine Learning in Materials Science (10 papers), Computational Drug Discovery Methods (6 papers) and Crystallography and molecular interactions (6 papers). Jiří Hostaš collaborates with scholars based in Canada, Czechia and Mexico. Jiří Hostaš's co-authors include Pavel Hobza, Jan Řezáč, Michal H. Kolář, Dennis R. Salahub, Said Jalife, Shideh Ahmadi, Robert Glaser, Liping Cao, Lyle Isaacs and Peter Y. Zavalij and has published in prestigious journals such as Journal of the American Chemical Society, Nature Communications and The Journal of Chemical Physics.

In The Last Decade

Jiří Hostaš

21 papers receiving 780 citations

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name h Career Trend Papers Cites
Jiří Hostaš Canada 13 266 259 234 201 162 23 788
Dani Setiawan United States 13 235 0.9× 248 1.0× 283 1.2× 193 1.0× 110 0.7× 13 776
Arkajyoti Sengupta United States 17 307 1.2× 510 2.0× 185 0.8× 274 1.4× 331 2.0× 30 1.1k
Geoffrey P. F. Wood United States 17 363 1.4× 381 1.5× 244 1.0× 146 0.7× 167 1.0× 36 955
Raghunath O. Ramabhadran United States 17 333 1.3× 465 1.8× 122 0.5× 217 1.1× 287 1.8× 40 1.0k
Anmol Kumar United States 14 120 0.5× 175 0.7× 159 0.7× 176 0.9× 83 0.5× 32 599
Subhrakant Jena India 14 155 0.6× 295 1.1× 303 1.3× 174 0.9× 98 0.6× 32 800
Jonathan P. McNamara United Kingdom 18 219 0.8× 194 0.7× 136 0.6× 245 1.2× 97 0.6× 32 843
Rajesh K. Raju United Kingdom 14 193 0.7× 242 0.9× 200 0.9× 177 0.9× 110 0.7× 29 679
Neetha Mohan India 11 171 0.6× 318 1.2× 287 1.2× 88 0.4× 125 0.8× 21 783

Countries citing papers authored by Jiří Hostaš

Since Specialization
Citations

This map shows the geographic impact of Jiří Hostaš's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Jiří Hostaš with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Jiří Hostaš more than expected).

Fields of papers citing papers by Jiří Hostaš

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Jiří Hostaš. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Jiří Hostaš. The network helps show where Jiří Hostaš may publish in the future.

Co-authorship network of co-authors of Jiří Hostaš

This figure shows the co-authorship network connecting the top 25 collaborators of Jiří Hostaš. A scholar is included among the top collaborators of Jiří Hostaš based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Jiří Hostaš. Jiří Hostaš is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Hostaš, Jiří, et al.. (2025). VNFlow: integration of variational autoencoders and normalizing flows for novel molecular design. Journal of Cheminformatics. 17(1). 161–161.
2.
Lourenço, Maicon Pierre, Jiří Hostaš, Colin Bellinger, Alain Tchagang, & Dennis R. Salahub. (2024). Reinforcement learning for in silico determination of adsorbate—substrate structures. Journal of Computational Chemistry. 45(15). 1289–1302. 1 indexed citations
3.
Lourenço, Maicon Pierre, Jiří Hostaš, Patrizia Calaminici, et al.. (2024). Active‐learning for global optimization of Ni‐Ceria nanoparticles: The case of Ce4−xNixO8−x (x = 1, 2, 3). Journal of Computational Chemistry. 45(19). 1643–1656. 2 indexed citations
4.
Hostaš, Jiří, Patrizia Calaminici, Maicon Pierre Lourenço, et al.. (2023). How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2. The Journal of Chemical Physics. 159(18). 3 indexed citations
5.
Lourenço, Maicon Pierre, Jiří Hostaš, Patrizia Calaminici, et al.. (2023). QMLMaterial─A Quantum Machine Learning Software for Material Design and Discovery. Journal of Chemical Theory and Computation. 19(17). 5999–6010. 15 indexed citations
6.
Lourenço, Maicon Pierre, Jiří Hostaš, Patrizia Calaminici, et al.. (2022). Automatic structural elucidation of vacancies in materials by active learning. Physical Chemistry Chemical Physics. 24(41). 25227–25239. 10 indexed citations
7.
Lourenço, Maicon Pierre, Jiří Hostaš, Patrizia Calaminici, et al.. (2022). GAMaterial—A genetic‐algorithm software for material design and discovery. Journal of Computational Chemistry. 44(7). 814–823. 15 indexed citations
8.
Lourenço, Maicon Pierre, Jiří Hostaš, Patrizia Calaminici, et al.. (2022). A new active learning approach for adsorbate–substrate structural elucidation in silico. Journal of Molecular Modeling. 28(6). 178–178. 8 indexed citations
9.
Hostaš, Jiří, Alain Tchagang, Maicon Pierre Lourenço, Andreas M. Köster, & Dennis R. Salahub. (2021). Global optimization of ~ 1 nm MoS2 and CaCO3 nanoparticles. Theoretical Chemistry Accounts. 140(4). 4 indexed citations
10.
Lourenço, Maicon Pierre, et al.. (2021). A new active learning approach for global optimization of atomic clusters. Theoretical Chemistry Accounts. 140(6). 16 indexed citations
11.
Ahmadi, Shideh, et al.. (2018). Multiscale modeling of enzymes: QM‐cluster, QM/MM, and QM/MM/MD: A tutorial review. International Journal of Quantum Chemistry. 118(9). 122 indexed citations
12.
Hostaš, Jiří, David Sigwalt, Marina Šekutor, et al.. (2018). A Nexus between Theory and Experiment: Non-empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]uril•Guest Binding Interactions.
13.
Hostaš, Jiří & Jan Řezáč. (2017). Accurate DFT-D3 Calculations in a Small Basis Set. Journal of Chemical Theory and Computation. 13(8). 3575–3585. 95 indexed citations
14.
Sigwalt, David, Marina Šekutor, Liping Cao, et al.. (2017). Unraveling the Structure–Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids. Journal of the American Chemical Society. 139(8). 3249–3258. 77 indexed citations
15.
Jia, Chuandong, Wei Zuo, Dong Yang, et al.. (2017). Selective binding of choline by a phosphate-coordination-based triple helicate featuring an aromatic box. Nature Communications. 8(1). 938–938. 61 indexed citations
16.
17.
Hostaš, Jiří, Dávid Jakubec, Roman A. Laskowski, et al.. (2015). 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. Journal of Chemical Theory and Computation. 11(9). 4086–4092. 22 indexed citations
18.
Jakubec, Dávid, Jiří Hostaš, Roman A. Laskowski, Pavel Hobza, & Jiřı́ Vondrášek. (2015). Large-Scale Quantitative Assessment of Binding Preferences in Protein–Nucleic Acid Complexes. Journal of Chemical Theory and Computation. 11(4). 1939–1948. 13 indexed citations
19.
Cao, Liping, Peter Y. Zavalij, Jiří Hostaš, et al.. (2015). Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammonium⋯ammonium distance. Organic & Biomolecular Chemistry. 13(22). 6249–6254. 20 indexed citations
20.
Kolář, Michal H., Jiří Hostaš, & Pavel Hobza. (2014). The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole. Physical Chemistry Chemical Physics. 16(21). 9987–9996. 128 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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