Alice E. A. Allen

864 total citations
15 papers, 466 citations indexed

About

Alice E. A. Allen is a scholar working on Materials Chemistry, Molecular Biology and Computational Theory and Mathematics. According to data from OpenAlex, Alice E. A. Allen has authored 15 papers receiving a total of 466 indexed citations (citations by other indexed papers that have themselves been cited), including 10 papers in Materials Chemistry, 7 papers in Molecular Biology and 7 papers in Computational Theory and Mathematics. Recurrent topics in Alice E. A. Allen's work include Machine Learning in Materials Science (10 papers), Computational Drug Discovery Methods (7 papers) and Protein Structure and Dynamics (6 papers). Alice E. A. Allen is often cited by papers focused on Machine Learning in Materials Science (10 papers), Computational Drug Discovery Methods (7 papers) and Protein Structure and Dynamics (6 papers). Alice E. A. Allen collaborates with scholars based in United States, United Kingdom and Luxembourg. Alice E. A. Allen's co-authors include Daniel J. Cole, Alexandre Tkatchenko, Michael C. Payne, Gábor Cśanyi, Joshua T. Horton, Christoph Ortner, Leela S. Dodda, Cas van der Oord, Dávid Péter Kovács and Justin S. Smith and has published in prestigious journals such as Chemical Reviews, The Journal of Chemical Physics and Chemical Communications.

In The Last Decade

Alice E. A. Allen

15 papers receiving 454 citations

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Alice E. A. Allen United States	9	313	119	109	83	48	15	466
Xingyi Guan United States	8	224 0.7×	122 1.0×	91 0.8×	50 0.6×	40 0.8×	12	331
Mojtaba Haghighatlari United States	11	316 1.0×	163 1.4×	183 1.7×	36 0.4×	58 1.2×	15	476
Jinxiao Zhang China	12	278 0.9×	94 0.8×	87 0.8×	77 0.9×	78 1.6×	29	481
Farhad Ramezanghorbani United States	5	252 0.8×	135 1.1×	108 1.0×	54 0.7×	60 1.3×	7	336
Pavan Kumar Behara United States	9	206 0.7×	136 1.1×	154 1.4×	42 0.5×	32 0.7×	11	363
Nicodemo Di Pasquale United Kingdom	13	196 0.6×	59 0.5×	84 0.8×	61 0.7×	42 0.9×	30	387
Tobias Morawietz United States	7	521 1.7×	156 1.3×	93 0.9×	118 1.4×	101 2.1×	7	611
Riccardo Petraglia Switzerland	7	263 0.8×	170 1.4×	131 1.2×	41 0.5×	47 1.0×	10	439
Marius R. Bittermann Netherlands	6	220 0.7×	93 0.8×	74 0.7×	45 0.5×	27 0.6×	13	286
Justin Gilmer United States	8	480 1.5×	285 2.4×	196 1.8×	88 1.1×	82 1.7×	18	742

Countries citing papers authored by Alice E. A. Allen

Since Specialization

Citations

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

Fields of papers citing papers by Alice E. A. Allen

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Alice E. A. Allen. 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 Alice E. A. Allen. The network helps show where Alice E. A. Allen may publish in the future.

Co-authorship network of co-authors of Alice E. A. Allen

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

All Works

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15 of 15 papers shown

Nebgen, Benjamin, et al.. (2025). Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation. Journal of Chemical Information and Modeling. 65(3). 1198–1210. 6 indexed citations

Allen, Alice E. A., Galen T. Craven, Benjamin Nebgen, et al.. (2025). Teacher-student training improves the accuracy and efficiency of machine learning interatomic potentials. Digital Discovery. 4(9). 2502–2511. 1 indexed citations

Allen, Alice E. A. & Gábor Cśanyi. (2024). Toward transferable empirical valence bonds: Making classical force fields reactive. The Journal of Chemical Physics. 160(12). 2 indexed citations

Kulichenko, Maksim, Benjamin Nebgen, Nicholas Lubbers, et al.. (2024). Data Generation for Machine Learning Interatomic Potentials and Beyond. Chemical Reviews. 124(24). 13681–13714. 55 indexed citations

Allen, Alice E. A., Justin S. Smith, Nicholas Lubbers, et al.. (2024). Machine Learning Potentials with the Iterative Boltzmann Inversion: Training to Experiment. Journal of Chemical Theory and Computation. 20(3). 1274–1281. 15 indexed citations

Allen, Alice E. A., Nicholas Lubbers, Justin S. Smith, et al.. (2024). Learning together: Towards foundation models for machine learning interatomic potentials with meta-learning. npj Computational Materials. 10(1). 27 indexed citations

Nebgen, Benjamin, Kipton Barros, Justin S. Smith, et al.. (2023). Molecular dynamics of high pressure tin phases: Empirical and machine learned interatomic potentials. AIP conference proceedings. 2844. 320002–320002. 1 indexed citations

Allen, Alice E. A. & Alexandre Tkatchenko. (2022). Machine learning of material properties: Predictive and interpretable multilinear models. Science Advances. 8(18). eabm7185–eabm7185. 68 indexed citations

Kovács, Dávid Péter, Cas van der Oord, Alice E. A. Allen, et al.. (2021). Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE. Journal of Chemical Theory and Computation. 17(12). 7696–7711. 93 indexed citations

10.

Allen, Alice E. A., et al.. (2020). Atomic Permutationally Invariant Polynomials for Fitting Molecular Force\n Fields. arXiv (Cornell University). 32 indexed citations

11.

Allen, Alice E. A., Michael J. Robertson, Michael C. Payne, & Daniel J. Cole. (2019). Development and Validation of the Quantum Mechanical Bespoke Protein Force Field. ACS Omega. 4(11). 14537–14550. 16 indexed citations

12.

Horton, Joshua T., Alice E. A. Allen, Leela S. Dodda, & Daniel J. Cole. (2019). QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics. Journal of Chemical Information and Modeling. 59(4). 1366–1381. 79 indexed citations

13.

Horton, Joshua T., Alice E. A. Allen, & Daniel J. Cole. (2019). Modelling flexible protein–ligand binding in p38α MAP kinase using the QUBE force field. Chemical Communications. 56(6). 932–935. 4 indexed citations

14.

Allen, Alice E. A., Michael C. Payne, & Daniel J. Cole. (2017). Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection. Journal of Chemical Theory and Computation. 14(1). 274–281. 65 indexed citations

15.

Allen, Alice E. A.. (2012). Shifting Perspectives on Marginal Bodies and Spaces: Relationality, Power, and Social Difference in the Documentary Films Babilônia 2000 and Estamira. Bulletin of Latin American Research. 32(1). 78–93. 2 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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