Mathew D. Halls

6.9k total citations · 2 hit papers
104 papers, 5.7k citations indexed

About

Mathew D. Halls is a scholar working on Materials Chemistry, Electrical and Electronic Engineering and Atomic and Molecular Physics, and Optics. According to data from OpenAlex, Mathew D. Halls has authored 104 papers receiving a total of 5.7k indexed citations (citations by other indexed papers that have themselves been cited), including 66 papers in Materials Chemistry, 64 papers in Electrical and Electronic Engineering and 17 papers in Atomic and Molecular Physics, and Optics. Recurrent topics in Mathew D. Halls's work include Semiconductor materials and devices (30 papers), Machine Learning in Materials Science (23 papers) and Molecular Junctions and Nanostructures (17 papers). Mathew D. Halls is often cited by papers focused on Semiconductor materials and devices (30 papers), Machine Learning in Materials Science (23 papers) and Molecular Junctions and Nanostructures (17 papers). Mathew D. Halls collaborates with scholars based in United States, Japan and Canada. Mathew D. Halls's co-authors include H. Bernhard Schlegel, Thomas F. Hughes, Richard A. Friesner, Arteum D. Bochevarov, Dean M. Philipp, David Rinaldo, Dale A. Braden, Jeremy R. Greenwood, Edward Harder and Jing Zhang and has published in prestigious journals such as Journal of the American Chemical Society, Physical Review Letters and The Journal of Chemical Physics.

In The Last Decade

Mathew D. Halls

98 papers receiving 5.6k citations

Hit Papers

align trajectories sort by overperformance

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.

Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences

2013 1.5k citations Arteum D. Bochevarov, Edward Harder et al. International Journal of Quantum Chemistry profile →
Noncovalent Engineering of Carbon Nanotube Surfaces by Rigid, Functional Conjugated Polymers

2002 661 citations Mathew D. Halls et al. profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Mathew D. Halls United States	34	2.5k	2.0k	1.2k	903	707	104	5.7k
Yun Hee Jang South Korea	38	2.1k 0.8×	2.6k 1.3×	910 0.8×	777 0.9×	933 1.3×	130	5.6k
G. J. Blanchard United States	37	1.6k 0.6×	1.8k 0.9×	1.1k 1.0×	1.4k 1.5×	839 1.2×	237	5.8k
Qijin Zhang China	41	3.0k 1.2×	1.2k 0.6×	2.1k 1.8×	595 0.7×	828 1.2×	293	5.9k
Ruth Pachter United States	44	3.6k 1.4×	1.7k 0.9×	637 0.5×	889 1.0×	1.2k 1.7×	227	6.1k
Sungnam Park South Korea	40	2.6k 1.0×	2.0k 1.0×	719 0.6×	1.7k 1.8×	1.2k 1.7×	169	5.9k
Heather J. Kulik United States	44	4.3k 1.7×	1.2k 0.6×	719 0.6×	1.3k 1.5×	818 1.2×	220	7.5k
Siva Umapathy India	37	1.9k 0.8×	1.1k 0.5×	652 0.6×	809 0.9×	861 1.2×	183	5.5k
Jorge M. Seminario United States	48	3.2k 1.2×	4.5k 2.3×	1.0k 0.9×	1.9k 2.1×	1.0k 1.4×	231	8.5k
Benjamin Dietzek Germany	49	3.6k 1.4×	1.6k 0.8×	1.9k 1.6×	866 1.0×	1.5k 2.1×	329	9.7k
Jing‐yao Liu China	37	2.2k 0.9×	1.4k 0.7×	856 0.7×	685 0.8×	759 1.1×	291	5.0k

Countries citing papers authored by Mathew D. Halls

Since Specialization

Citations

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

Fields of papers citing papers by Mathew D. Halls

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Mathew D. Halls. 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 Mathew D. Halls. The network helps show where Mathew D. Halls may publish in the future.

Co-authorship network of co-authors of Mathew D. Halls

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

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

Chew, Alex K., et al.. (2025). Leveraging high-throughput molecular simulations and machine learning for the design of chemical mixtures. npj Computational Materials. 11(1). 2 indexed citations

Cao, Yixiang, Michael D. Beachy, Arteum D. Bochevarov, et al.. (2024). Quantum chemical package Jaguar: A survey of recent developments and unique features. The Journal of Chemical Physics. 161(5). 17 indexed citations

Chew, Alex K., Anand Chandrasekaran, Jackson Chief Elk, et al.. (2024). Advancing material property prediction: using physics-informed machine learning models for viscosity. Journal of Cheminformatics. 16(1). 31–31. 40 indexed citations

Cao, Yixiang, Mathew D. Halls, & Richard A. Friesner. (2024). Highly efficient implementation of analytic nonadiabatic derivative couplings within the pseudospectral method. The Journal of Chemical Physics. 160(8). 1 indexed citations

Dinda, Shrabani, Suyash Pant, Anand Chandrasekaran, et al.. (2024). Machine learning-based design of pincer catalysts for polymerization reaction. Journal of Catalysis. 439. 115766–115766. 3 indexed citations

Browning, Andrea, et al.. (2023). Physics-based molecular modeling of biosurfactants. Current Opinion in Colloid & Interface Science. 68. 101760–101760. 3 indexed citations

Browning, Andrea, et al.. (2023). Development of scalable and generalizable machine learned force field for polymers. Scientific Reports. 13(1). 17251–17251. 17 indexed citations

Leswing, Karl, Tim Robertson, David J. Giesen, et al.. (2021). De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen. The Journal of Physical Chemistry A. 125(33). 7331–7343. 16 indexed citations

Winget, Paul, Hadi Abroshan, H. Shaun Kwak, Christopher T. Brown, & Mathew D. Halls. (2021). Enhancing OLED outcoupling efficiency via atomistic-scale simulations. 26–26. 1 indexed citations

10.

Matsuzawa, Nobuyuki, Masaru Sasago, Eiji Fujii, et al.. (2020). Massive Theoretical Screen of Hole Conducting Organic Materials in the Heteroacene Family by Using a Cloud-Computing Environment. The Journal of Physical Chemistry A. 124(10). 1981–1992. 16 indexed citations

11.

Tsuchiya, Youichi, Ko Inada, Fatima Bencheikh, et al.. (2020). Molecular Design Based on Donor-Weak Donor Scaffold for Blue Thermally-Activated Delayed Fluorescence Designed by Combinatorial DFT Calculations. Frontiers in Chemistry. 8. 403–403. 24 indexed citations

12.

Halls, Mathew D., Jeffrey M. Sanders, H. Shaun Kwak, Thomas J. L. Mustard, & Andrea Browning. (2018). Atomistic simulations of mechanical and thermophysical properties of OLED materials. 87–87. 1 indexed citations

13.

Halls, Mathew D., et al.. (2015). Atomic-scale Simulation for the Analysis, Optimization and Accelerated Development of Organic Optoelectronic Materials. 54(6). 561–569. 4 indexed citations

14.

Mane, Anil U., Jeffrey W. Elam, Alexander Goldberg, et al.. (2015). Atomic layer deposition of boron-containing films using B2F4. Journal of Vacuum Science & Technology A Vacuum Surfaces and Films. 34(1). 8 indexed citations

15.

Seidel, Thomas E., Alexander Goldberg, & Mathew D. Halls. (2014). Fluorine coatings for nanoimprint lithography masks. Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE. 9049. 90491S–90491S.

16.

Bochevarov, Arteum D., Edward Harder, Thomas F. Hughes, et al.. (2013). Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences. International Journal of Quantum Chemistry. 113(18). 2110–2142. 1484 indexed citations breakdown →

17.

Rigby, David L., W. Wolf, Mikael Christensen, et al.. (2010). Computational materials engineering: Capabilities of atomic-scale prediction of mechanical, thermal, and electrical properties of microelectronic materials. 29. 1–10. 3 indexed citations

18.

Kwon, Jinhee, Min Dai, Mathew D. Halls, et al.. (2008). In Situ Infrared Characterization during Atomic Layer Deposition of Lanthanum Oxide. The Journal of Physical Chemistry C. 113(2). 654–660. 81 indexed citations

19.

Knox, John E., Mathew D. Halls, Hrant P. Hratchian, & H. Bernhard Schlegel. (2006). Chemical failure modes of AlQ3-based OLEDs: AlQ3 hydrolysis. Physical Chemistry Chemical Physics. 8(12). 1371–1371. 63 indexed citations

20.

Mann, David J. & Mathew D. Halls. (2002). Ab initio simulations of oxygen atom insertion and substitutional doping of carbon nanotubes. The Journal of Chemical Physics. 116(20). 9014–9020. 39 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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