David F. Hahn

1.0k total citations · 1 hit paper
23 papers, 546 citations indexed

About

David F. Hahn is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, David F. Hahn has authored 23 papers receiving a total of 546 indexed citations (citations by other indexed papers that have themselves been cited), including 16 papers in Molecular Biology, 12 papers in Computational Theory and Mathematics and 6 papers in Materials Chemistry. Recurrent topics in David F. Hahn's work include Protein Structure and Dynamics (14 papers), Computational Drug Discovery Methods (12 papers) and Spectroscopy and Quantum Chemical Studies (4 papers). David F. Hahn is often cited by papers focused on Protein Structure and Dynamics (14 papers), Computational Drug Discovery Methods (12 papers) and Spectroscopy and Quantum Chemical Studies (4 papers). David F. Hahn collaborates with scholars based in Belgium, United States and Switzerland. David F. Hahn's co-authors include Gary Tresadern, David L. Mobley, Vytautas Gapsys, Philippe H. Hünenberger, John D. Chodera, Michael R. Shirts, Christopher I. Bayly, Bert L. de Groot, Jeffrey Wagner and Simon Boothroyd and has published in prestigious journals such as Journal of Chemical Theory and Computation, Journal of Chemical Information and Modeling and Computers & Chemical Engineering.

In The Last Decade

David F. Hahn

23 papers receiving 535 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.

Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field

2023 111 citations Simon Boothroyd, Pavan Kumar Behara et al. Journal of Chemical Theory and Computation profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
David F. Hahn Belgium	13	344	258	212	99	56	23	546
Anthony Cruz United States	11	427 1.2×	241 0.9×	159 0.8×	88 0.9×	29 0.5×	23	614
Scott LeGrand United States	4	497 1.4×	131 0.5×	179 0.8×	122 1.2×	86 1.5×	5	803
Joshua T. Horton United Kingdom	9	191 0.6×	172 0.7×	266 1.3×	80 0.8×	55 1.0×	15	451
Nathan M. Lim United States	14	561 1.6×	252 1.0×	208 1.0×	159 1.6×	111 2.0×	19	744
Agastya P. Bhati United Kingdom	12	448 1.3×	281 1.1×	164 0.8×	41 0.4×	59 1.1×	24	579
Koji Okuwaki Japan	14	189 0.5×	141 0.5×	122 0.6×	83 0.8×	43 0.8×	47	487
Lars Andersen Bratholm United Kingdom	9	193 0.6×	241 0.9×	316 1.5×	102 1.0×	119 2.1×	11	502
Ignasi Buch Spain	5	599 1.7×	205 0.8×	183 0.9×	84 0.8×	121 2.2×	6	712
Mariusz Milik Poland	15	615 1.8×	269 1.0×	134 0.6×	65 0.7×	62 1.1×	24	813

Countries citing papers authored by David F. Hahn

Since Specialization

Citations

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

Fields of papers citing papers by David F. Hahn

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by David F. Hahn. 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 David F. Hahn. The network helps show where David F. Hahn may publish in the future.

Co-authorship network of co-authors of David F. Hahn

This figure shows the co-authorship network connecting the top 25 collaborators of David F. Hahn. A scholar is included among the top collaborators of David F. Hahn 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 David F. Hahn. David F. Hahn 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

Hahn, David F., et al.. (2025). Quantification of the Impact of Structure Quality on Predicted Binding Free Energy Accuracy. Journal of Chemical Information and Modeling. 65(13). 6927–6938. 1 indexed citations

Sandonas, Leonardo Medrano, Dries Van Rompaey, David F. Hahn, et al.. (2024). Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules. Scientific Data. 11(1). 742–742. 17 indexed citations

Boothroyd, Simon, Pavan Kumar Behara, David F. Hahn, et al.. (2023). Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field. Journal of Chemical Theory and Computation. 19(11). 3251–3275. 111 indexed citations breakdown →

Hahn, David F., et al.. (2023). Transformable Luminaire Design: From digital sketch to fabrication through computation and simulation. eCAADe proceedings. 1. 117–126. 2 indexed citations

Baumann, Hannah M., Eric Dybeck, Christopher L. McClendon, et al.. (2023). Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach. Journal of Chemical Theory and Computation. 19(15). 5058–5076. 23 indexed citations

Hahn, David F., et al.. (2023). To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough. Journal of Chemical Information and Modeling. 63(6). 1776–1793. 12 indexed citations

Hahn, David F., Christopher I. Bayly, Melissa L. Boby, et al.. (2022). Best Practices for Constructing, Preparing, and Evaluating Protein-Ligand Binding Affinity Benchmarks [Article v1.0]. PubMed. 4(1). 1497–1497. 46 indexed citations

D’Amore, Lorenzo, David F. Hahn, David Dotson, et al.. (2022). Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field. Journal of Chemical Information and Modeling. 62(23). 6094–6104. 13 indexed citations

Yunhui, Ge, Hans Briem, David F. Hahn, et al.. (2022). Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods. ChemMedChem. 18(1). e202200425–e202200425. 33 indexed citations

10.

Khalak, Yuriy, Gary Tresadern, David F. Hahn, Bert L. de Groot, & Vytautas Gapsys. (2022). Chemical Space Exploration with Active Learning and Alchemical Free Energies. Journal of Chemical Theory and Computation. 18(10). 6259–6270. 52 indexed citations

11.

Smith, Daniel G. A., Simon Boothroyd, Hyesu Jang, et al.. (2021). Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field. Journal of Chemical Theory and Computation. 17(10). 6262–6280. 113 indexed citations

12.

Zhang, Si, David F. Hahn, Michael R. Shirts, & Vincent A. Voelz. (2021). Expanded Ensemble Methods Can be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies. Journal of Chemical Theory and Computation. 17(10). 6536–6547. 12 indexed citations

13.

Hahn, David F., et al.. (2020). Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes. Journal of Chemical Theory and Computation. 16(12). 7525–7555. 24 indexed citations

14.

Hahn, David F., et al.. (2020). The Conveyor Belt Umbrella Sampling (CBUS) Scheme: Principle and Application to the Calculation of the Absolute Binding Free Energies of Alkali Cations to Crown Ethers. Journal of Chemical Theory and Computation. 16(4). 2474–2493. 1 indexed citations

15.

Hahn, David F., Gerhard König, & Philippe H. Hünenberger. (2020). Overcoming Orthogonal Barriers in Alchemical Free Energy Calculations: On the Relative Merits of λ-Variations, λ-Extrapolations, and Biasing. Journal of Chemical Theory and Computation. 16(3). 1630–1645. 27 indexed citations

16.

Mey, Antonia S. J. S., Bryce K. Allen, Hannah E. Bruce Macdonald, et al.. (2019). Best Practices for Alchemical Free Energy Calculations [Article v1.0]. 2(1). 7 indexed citations

17.

Hahn, David F. & Philippe H. Hünenberger. (2019). Alchemical Free-Energy Calculations by Multiple-Replica λ-Dynamics: The Conveyor Belt Thermodynamic Integration Scheme. Journal of Chemical Theory and Computation. 15(4). 2392–2419. 19 indexed citations

18.

Hahn, David F., Jovana V. Milić, & Philippe H. Hünenberger. (2019). Vase‐Kite Equilibrium of Resorcin[4]arene Cavitands Investigated Using Molecular Dynamics Simulations with Ball‐and‐Stick Local Elevation Umbrella Sampling. Helvetica Chimica Acta. 102(5). 5 indexed citations

19.

Hahn, David F., et al.. (2018). Chemtogether 2017 ETH Zürich. CHIMIA International Journal for Chemistry. 72(1-2). 72–72. 1 indexed citations

20.

Krüger, Uwe, et al.. (2005). A Nonlinearity Measure for Principal Component Models. Computers & Chemical Engineering. 2355–2362. 1 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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