Pavlo O. Dral

6.7k total citations · 3 hit papers
82 papers, 4.3k citations indexed

About

Pavlo O. Dral is a scholar working on Materials Chemistry, Atomic and Molecular Physics, and Optics and Organic Chemistry. According to data from OpenAlex, Pavlo O. Dral has authored 82 papers receiving a total of 4.3k indexed citations (citations by other indexed papers that have themselves been cited), including 53 papers in Materials Chemistry, 30 papers in Atomic and Molecular Physics, and Optics and 21 papers in Organic Chemistry. Recurrent topics in Pavlo O. Dral's work include Machine Learning in Materials Science (37 papers), Advanced Chemical Physics Studies (20 papers) and Computational Drug Discovery Methods (19 papers). Pavlo O. Dral is often cited by papers focused on Machine Learning in Materials Science (37 papers), Advanced Chemical Physics Studies (20 papers) and Computational Drug Discovery Methods (19 papers). Pavlo O. Dral collaborates with scholars based in China, Germany and Poland. Pavlo O. Dral's co-authors include O. Anatole von Lilienfeld, Matthias Rupp, Raghunathan Ramakrishnan, Mario Barbatti, Walter Thiel, Xin Wu, Arif Ullah, Fuchun Ge, A. Owens and Timothy Clark and has published in prestigious journals such as Journal of the American Chemical Society, Angewandte Chemie International Edition and Nature Communications.

In The Last Decade

Pavlo O. Dral

78 papers receiving 4.3k citations

Hit Papers

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What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Quantum chemistry structures and properties of 134 kilo molecules

2014 1.2k citations Pavlo O. Dral et al. Scientific Data profile →
Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach

2015 638 citations Pavlo O. Dral et al. Journal of Chemical Theory and Computation profile →
Quantum Chemistry in the Age of Machine Learning

2020 291 citations Pavlo O. Dral The Journal of Physical Chemistry Letters profile →

Author Peers

Peers are selected by citation overlap in the author's most active subfields. citations · hero ref

Author						Papers	Cites
Pavlo O. Dral	3.1k	1.8k	1.2k	993	566	82	4.3k
Matthias Rupp	5.2k 1.7×	3.2k 1.8×	1.0k 0.9×	1.6k 1.6×	596 1.1×	49	6.4k
Raghunathan Ramakrishnan	2.5k 0.8×	1.7k 0.9×	535 0.5×	780 0.8×	380 0.7×	34	3.1k
Teodoro Laino	2.1k 0.7×	1.1k 0.6×	541 0.5×	1.2k 1.2×	255 0.5×	95	4.2k
Heather J. Kulik	4.3k 1.4×	1.0k 0.6×	1.3k 1.2×	1.2k 1.2×	345 0.6×	220	7.5k
Benjamin Nebgen	1.9k 0.6×	968 0.5×	824 0.7×	686 0.7×	378 0.7×	44	2.7k
Kristof T. Schütt	4.0k 1.3×	2.1k 1.2×	625 0.5×	1.2k 1.3×	327 0.6×	23	4.9k
Stefan Chmiela	2.5k 0.8×	1.3k 0.7×	420 0.4×	893 0.9×	220 0.4×	20	3.1k
Toon Verstraelen	2.6k 0.8×	314 0.2×	1.2k 1.0×	447 0.5×	563 1.0×	90	4.9k
Sebastian Spicher	1.5k 0.5×	321 0.2×	945 0.8×	589 0.6×	512 0.9×	34	4.0k
Paul M. Zimmerman	2.6k 0.8×	575 0.3×	1.8k 1.5×	862 0.9×	656 1.2×	177	6.8k

Countries citing papers authored by Pavlo O. Dral

Since Specialization

Citations

This map shows the geographic impact of Pavlo O. Dral'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 Pavlo O. Dral with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Pavlo O. Dral more than expected).

Fields of papers citing papers by Pavlo O. Dral

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Pavlo O. Dral. 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 Pavlo O. Dral. The network helps show where Pavlo O. Dral may publish in the future.

Co-authorship network of co-authors of Pavlo O. Dral

This figure shows the co-authorship network connecting the top 25 collaborators of Pavlo O. Dral. A scholar is included among the top collaborators of Pavlo O. Dral 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 Pavlo O. Dral. Pavlo O. Dral is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Dral, Pavlo O., et al.. (2026). Photochemical N‐dealkylation of Tertiary Amines Coupled With Photocharging of Poly(Heptazine Imides). Angewandte Chemie International Edition. 65(11). e22677–e22677.

Zhang, Lina, et al.. (2025). A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors. The Journal of Physical Chemistry Letters. 16(45). 11732–11744. 1 indexed citations

Ge, Fuchun, et al.. (2025). ANI-1ccx-gelu Universal Interatomic Potential and Its Fine-Tuning: Toward Accurate and Efficient Anharmonic Vibrational Frequencies. The Journal of Physical Chemistry Letters. 16(2). 483–493. 7 indexed citations

Pinheiro, Max, et al.. (2025). MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics. Journal of Chemical Theory and Computation. 21(22). 11390–11400. 1 indexed citations

Ullah, Arif, et al.. (2024). Molecular quantum chemical data sets and databases for machine learning potentials. Machine Learning Science and Technology. 5(4). 41001–41001. 10 indexed citations

Wang, Kun, et al.. (2024). Bornylimidazo[1,5‑a]pyridin-3-ylidene allylic Pd catalyst with optimal electronic and steric properties for synthesis of 3,3′-disubstituted oxindoles. Chinese Chemical Letters. 36(7). 110539–110539.

Dral, Pavlo O.. (2024). AI in computational chemistry through the lens of a decade-long journey. Chemical Communications. 60(24). 3240–3258. 15 indexed citations

Dral, Pavlo O., Fuchun Ge, Mario Barbatti, et al.. (2024). MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows. Journal of Chemical Theory and Computation. 20(3). 1193–1213. 35 indexed citations

Ullah, Arif, et al.. (2023). QD3SET-1: a database with quantum dissipative dynamics datasets. Frontiers in Physics. 11. 6 indexed citations

10.

Vaucher, Alain C., et al.. (2023). Ultra-fast semi-empirical quantum chemistry for high-throughput computational campaigns with Sparrow. The Journal of Chemical Physics. 158(5). 54118–54118. 14 indexed citations

11.

Ge, Fuchun, et al.. (2023). Benchmark of general-purpose machine learning-based quantum mechanical method AIQM1 on reaction barrier heights. The Journal of Chemical Physics. 158(7). 74103–74103. 16 indexed citations

12.

Pinheiro, Max, et al.. (2023). WS22 database, Wigner Sampling and geometry interpolation for configurationally diverse molecular datasets. Scientific Data. 10(1). 95–95. 17 indexed citations

13.

Wu, Wei, et al.. (2022). Toward Chemical Accuracy in Predicting Enthalpies of Formation with General-Purpose Data-Driven Methods. The Journal of Physical Chemistry Letters. 13(15). 3479–3491. 28 indexed citations

14.

Barbatti, Mario, Mattia Bondanza, Rachel Crespo‐Otero, et al.. (2022). Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles. Journal of Chemical Theory and Computation. 18(11). 6851–6865. 73 indexed citations

15.

Ullah, Arif, et al.. (2022). A comparative study of different machine learning methods for dissipative quantum dynamics. Machine Learning Science and Technology. 3(4). 45016–45016. 19 indexed citations

16.

Dral, Pavlo O., et al.. (2020). Hierarchical machine learning of potential energy surfaces. The Journal of Chemical Physics. 152(20). 204110–204110. 77 indexed citations

17.

Schaub, Tobias A., Pavlo O. Dral, Matthias E. Miehlich, et al.. (2020). A Spherically Shielded Triphenylamine and Its Persistent Radical Cation. Chemistry - A European Journal. 26(15). 3264–3269. 37 indexed citations

18.

Dral, Pavlo O., Tomasz Marszałek, Frank Hampel, et al.. (2020). 5,7,12,14-Tetraphenyl-Substituted 6,13-Diazapentacenes as Versatile Organic Semiconductors: Characterization in Field Effect Transistors. SHILAP Revista de lepidopterología. 2(3). 204–213. 5 indexed citations

19.

Chen, Wenkai, Xiangyang Liu, Wei‐Hai Fang, Pavlo O. Dral, & Ganglong Cui. (2018). Deep Learning for Nonadiabatic Excited-State Dynamics. The Journal of Physical Chemistry Letters. 9(23). 6702–6708. 129 indexed citations

20.

Wick, Christian R., Pavlo O. Dral, Johannes Tucher, et al.. (2017). 1D Chains of Diruthenium Tetracarbonyl Sawhorse Complexes. European Journal of Inorganic Chemistry. 2018(1). 54–61. 4 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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