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, Raghunathan Ramakrishnan, Matthias Rupp, 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

align trajectories

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. 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 →

Peers

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

#	Work	Indexed citations
1	Photochemical N‐dealkylation of Tertiary Amines Coupled With Photocharging of Poly(Heptazine Imides) 2026 ·Angewandte Chemie International Edition ·(unknown), (unknown), (unknown), (unknown), (unknown), Pavlo O. Dral, (unknown)	0
2	A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors 2025 ·The Journal of Physical Chemistry Letters ·(unknown), Lina Zhang, (unknown), (unknown), Jiřı́ Pittner, Mario Barbatti, Pavlo O. Dral	1
3	MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics 2025 ·Journal of Chemical Theory and Computation ·(unknown), (unknown), Max Pinheiro, Bidhan Chandra Garain, Pavlo O. Dral, Mario Barbatti	1
4	ANI-1ccx-gelu Universal Interatomic Potential and Its Fine-Tuning: Toward Accurate and Efficient Anharmonic Vibrational Frequencies 2025 ·The Journal of Physical Chemistry Letters ·(unknown), (unknown), (unknown), Fuchun Ge, (unknown), Pavlo O. Dral	7
5	Alternating Donor–Acceptor Thienoacenes Featuring Up to 23 Linearly Fused Rings 2025 ·Organic Letters ·Jiancheng Song, Xinyu Tong, (unknown), (unknown), Jianbin Lin, Pavlo O. Dral, Hui‐Jun Zhang	1
6	Bornylimidazo[1,5‑a]pyridin-3-ylidene allylic Pd catalyst with optimal electronic and steric properties for synthesis of 3,3′-disubstituted oxindoles 2024 ·Chinese Chemical Letters ·Kun Wang, (unknown), (unknown), Boyang Han, (unknown), Pavlo O. Dral, Weiwei Fang	0
7	Molecular quantum chemical data sets and databases for machine learning potentials 2024 ·Machine Learning Science and Technology ·Arif Ullah, (unknown), Pavlo O. Dral	10
8	AI in computational chemistry through the lens of a decade-long journey 2024 ·Chemical Communications ·Pavlo O. Dral	15
9	MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows 2024 ·Journal of Chemical Theory and Computation ·Pavlo O. Dral, Fuchun Ge, (unknown), (unknown), (unknown), Mario Barbatti, Olexandr Isayev, Cheng Wang, (unknown), Max Pinheiro, Yuming Su, Yiheng Dai, (unknown), Lina Zhang, Shuang Zhang, Arif Ullah, (unknown), (unknown)	35
10	QD3SET-1: a database with quantum dissipative dynamics datasets 2023 ·Frontiers in Physics ·Arif Ullah, (unknown), Pavlo O. Dral, Alexei A. Kananenka	6
11	Benchmark of general-purpose machine learning-based quantum mechanical method AIQM1 on reaction barrier heights 2023 ·The Journal of Chemical Physics ·(unknown), (unknown), (unknown), (unknown), Fuchun Ge, Pavlo O. Dral	16
12	Ultra-fast semi-empirical quantum chemistry for high-throughput computational campaigns with Sparrow 2023 ·The Journal of Chemical Physics ·(unknown), (unknown), Alain C. Vaucher, Thomas Weymuth, Pavlo O. Dral, Markus Reiher	14
13	Toward Chemical Accuracy in Predicting Enthalpies of Formation with General-Purpose Data-Driven Methods 2022 ·The Journal of Physical Chemistry Letters ·(unknown), (unknown), Wei Wu, Olexandr Isayev, Pavlo O. Dral	28
14	Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles 2022 ·Journal of Chemical Theory and Computation ·Mario Barbatti, Mattia Bondanza, Rachel Crespo‐Otero, Baptiste Démoulin, Pavlo O. Dral, Giovanni Granucci, Fábris Kossoski, Hans Lischka, Benedetta Mennucci, Saikat Mukherjee, Marek Pederzoli, Maurizio Persico, Max Pinheiro, Jiřı́ Pittner, Felix Plasser, Eduarda Sangiogo Gil, Ljiljana Stojanović	73
15	A comparative study of different machine learning methods for dissipative quantum dynamics 2022 ·Machine Learning Science and Technology ·(unknown), Arif Ullah, (unknown), Pavlo O. Dral, Alexei A. Kananenka	19
16	A Spherically Shielded Triphenylamine and Its Persistent Radical Cation 2020 ·Chemistry - A European Journal ·Tobias A. Schaub, (unknown), Pavlo O. Dral, Matthias E. Miehlich, Frank Hampel, Karsten Meyer, Milan Kivala	37
17	5,7,12,14-Tetraphenyl-Substituted 6,13-Diazapentacenes as Versatile Organic Semiconductors: Characterization in Field Effect Transistors 2020 ·SHILAP Revista de lepidopterología ·(unknown), (unknown), Pavlo O. Dral, Tomasz Marszałek, Frank Hampel, Gaozhan Xie, Jan Freudenberg, Uwe H. F. Bunz, Milan Kivala	5
18	Deep Learning for Nonadiabatic Excited-State Dynamics 2018 ·The Journal of Physical Chemistry Letters ·Wenkai Chen, Xiangyang Liu, Wei‐Hai Fang, Pavlo O. Dral, Ganglong Cui	129
19	Organic Electron Acceptors Comprising a Dicyanomethylene‐Bridged Acridophosphine Scaffold: The Impact of the Heteroatom 2017 ·Chemistry - A European Journal ·Tobias A. Schaub, (unknown), Pavlo O. Dral, Frank Hampel, Harald Maid, Milan Kivala	29
20	1D Chains of Diruthenium Tetracarbonyl Sawhorse Complexes 2017 ·European Journal of Inorganic Chemistry ·(unknown), Christian R. Wick, (unknown), (unknown), Pavlo O. Dral, Johannes Tucher, Christian Steiner, Tatyana E. Shubina, Sabine Maier, Timothy Clark, Nicolai Burzlaff	4

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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