Publication List of Martin Brehm

64 peer-reviewed publications, together with 183 different co-authors.

My current h-index is 30. Total citations: 4667.

My ORCID is  0000-0002-6861-459X
My ResearcherID is  L-5258-2017
My   Google Scholar profile
My Scopus author ID is  38661083600

My five most cited publications:

Citations		Article
1155	M. Brehm, B. Kirchner: "TRAVIS – A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories", J. Chem. Inf. Model. 2011, 51 (8), 2007–2023. ⮞ see all citing articles
582	M. Brehm, M. Thomas, S. Gehrke, B. Kirchner: "TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation", J. Chem. Phys. 2020, 152 (16), 164105.
484	M. Thomas, M. Brehm, R. Fligg, P. Vöhringer, B. Kirchner: "Computing Vibrational Spectra from ab initio Molecular Dynamics", Phys. Chem. Chem. Phys. 2013, 15, 6608–6622.
141	M. Kohagen, M. Brehm, J. Thar, W. Zhao, F. Müller-Plathe, B. Kirchner: "Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-Methylimidazolium Bromide", J. Phys. Chem. B 2011, 115 (4), 693–702.
141	M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner: "Proton Transfer and Polarity Changes in Ionic Liquid–Water Mixtures: A Perspective on Hydrogen Bonds from ab initio Molecular Dynamics at the Example of 1-Ethyl-3-Methylimidazolium Acetate–Water Mixtures—Part 1", Phys. Chem. Chem. Phys. 2012, 14, 5030–5044.

Want to know with whom I publish most? See my co-author list. See also the list of most frequent journals.

Sorted by publication date. Sort by citation count.

— 2025 —

64	M. Iannuzzi, J. Wilhelm, F. Stein, A. Bussy, H. Elgabarty, D. Golze, A.-S. Hehn, M. Graml, Š. Marek, B. Sertcan Gökmen, C. Schran, H. Forbert, R. Khaliullin, A. Kozhevnikov, M. Taillefumier, R. Meli, V. Rybkin, M. Brehm, R. Schade, O. Schütt, J. Pototschnig, H. Mirhosseini, A. Knüpfer, D. Marx, M. Krack, J. Hutter, T. Kühne: "The CP2K Program Package Made Simple" J. Phys. Chem. B 2025, accepted*. ⭳Bib
63	E. Mangiacapre, Z. Barhoumi, M. Brehm, F. Castiglione, V. Di Lisio, A. Triolo, O. Russina: "Choline Acetate/Water Mixtures: Physicochemical Properties and Structural Organization" Molecules 2025, 30 (16), 3403. (DOI `10.3390/molecules30163403` ) ⭳Bib
62	Z. Zhao, C. Weinberger, J. Steube, M. Bauer, M. Brehm, M. Tiemann: "Fast-Responding O₂ Gas Sensor Based on Luminescent Europium Metal-Organic Frameworks (MOF-76)" Adv. Funct. Mater. 2025, accepted*, e11190. (DOI `10.1002/adfm.202511190` ) ⭳Bib

— 2024 —

61	M. Lass, T. Kenter, C. Plessl, M. Brehm: "Characterizing Microheterogeneity in Liquid Mixtures via Local Density Fluctuations" Entropy 2024, 26 (4)*, 322. (2 citations, DOI `10.3390/e26040322` ) ⭳Bib
60	E. Roos, C. Gradaus, D. Sebastiani, M. Brehm: "A Force Field for the Solubility of Cellulose in DMSO/Ionic Liquids" Cellulose 2024*, 31, 4793–4815. (6 citations, DOI `10.1007/s10570-024-05854-4` ) ⭳Bib
59	L. Köring, B. Birenheide, F. Krämer, J. O. Wenzel, R. Schoch, M. Brehm, F. Breher, J. Paradies: "Synthesis of Ferrocenyl Boranes and their Application as Lewis Acids in Epoxide Rearrangements" Eur. J. Inorg. Chem. 2024, 27 (18), e202400057. (DOI `10.1002/ejic.202400057` ) ⭳Bib

— 2023 —

58	E. Roos, D. Sebastiani, M. Brehm: "BILFF: All-Atom Force Field for Modeling Triazolium- and Benzoate-Based Ionic Liquids" Molecules 2023, 28 (22)*, 7592. (3 citations, DOI `10.3390/molecules28227592` ) ⭳Bib
57	M.-A. Codescu, T. Kunze, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E. T. J. Nibbering: "Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole" J. Phys. Chem. Lett. 2023, 14, 4775–4785. (7 citations, DOI `10.1021/acs.jpclett.3c00595` ) ⭳Bib
56	E. Roos, D. Sebastiani, M. Brehm: "A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 2: Cellulose in [EMIm][OAc] / Water Mixtures" Phys. Chem. Chem. Phys. 2023, 25 (12)*, 8755–8766. (4 citations, DOI `10.1039/D2CP05636D` ) ⭳Bib
55	J. Radicke, E. Roos, D. Sebastiani, M. Brehm, J. Kressler: "Lactate-Based Ionic Liquids as Chiral Solvents for Cellulose" J. Polym. Sci. 2023, 61 (5), 372–384. (2 citations, DOI `10.1002/pol.20220687` ) ⭳Bib

— 2022 —

54	R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. Lam: "Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF₄ Molten Salt" JACS Au 2022, 2 (12), 2693–2702. (39 citations, DOI `10.1021/jacsau.2c00526` ) ⭳Bib
53	T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner: "Cluster Analysis in Liquids: A Novel Tool in TRAVIS" J. Chem. Inf. Model. 2022, 62 (22), 5634–5644. (25 citations, DOI `10.1021/acs.jcim.2c01244` ) ⭳Bib
52	S. Taherivardanjani, J. Blasius, M. Brehm, R. Dötzer, B. Kirchner: "Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives" J. Phys. Chem. A 2022, 126 (40)*, 7070–7083. (3 citations, DOI `10.1021/acs.jpca.2c03133` ) ⭳Bib
51	Y. Yang, J. Cheramy, M. Brehm, Y. Xu: "Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The “Clusters-in-a-Liquid” Model and ab initio Molecular Dynamics Simulations" ChemPhysChem 2022, 23 (11), e202200161. (14 citations, DOI `10.1002/cphc.202200161` ) ⭳Bib

— 2021 —

50	A. Triolo, M. E. Di Pietro, A. Mele, F. Lo Celso, M. Brehm, V. Di Lisio, A. Martinelli, P. Chater, O. Russina: "Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent" J. Chem. Phys. 2021, 154, 244501. (25 citations, DOI `10.1063/5.0054048` ) ⭳Bib
49	S. Roy, M. Brehm, S. Sharma, F. Wu, D. Maltsev, P. Halstenberg, L. Gallington, S. Mahurin, S. Dai, A. Ivanov, C. Margulis, V. Bryantsev: "Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics" J. Phys. Chem. B 2021, 125 (22), 5971–5982. (47 citations*, DOI `10.1021/acs.jpcb.1c03786` ) ⭳Bib
48	M. Brehm, M. Thomas: "Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations" Molecules 2021, 26 (7)*, 1875. (8 citations, DOI `10.3390/molecules26071875` ) ⭳Bib
47	M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E. T. J. Nibbering: "Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate" J. Phys. Chem. A 2021, 125 (9), 1845–1859. (14 citations, DOI `10.1021/acs.jpca.0c10191` ) ⭳Bib
46	A. Triolo, F. Lo Celso, M. Brehm, V. Di Lisio, O. Russina: "Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization" J. Mol. Liq. 2021, 331, 115750. (51 citations, DOI `10.1016/j.molliq.2021.115750` ) ⭳Bib
45	E. Roos, M. Brehm: "A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures" Phys. Chem. Chem. Phys. 2021*, 23, 1242–1253. (12 citations, DOI `10.1039/D0CP04537C` ) ⭳Bib
44	M. Mukherjee, D. Tripathi, M. Brehm, C. Riplinger, A. K. Dutta: "Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study" J. Chem. Theory Comput. 2021, 17 (1)*, 105–116. (18 citations, DOI `10.1021/acs.jctc.0c00655` ) ⭳Bib

— 2020 —

43	M. Weiß, M. Brehm: "Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent Influence" Molecules 2020, 25 (24)*, 5861. (7 citations, DOI `10.3390/molecules25245861` ) ⭳Bib
42	J. Hunold, J. Eisermann, M. Brehm, D. Hinderberger: "Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water" J. Phys. Chem. B 2020, 124 (39), 8601–8609. (22 citations*, DOI `10.1021/acs.jpcb.0c04863` ) ⭳Bib
41	M. Brehm, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, J. Kressler: "Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions" Molecules 2020, 25 (15), 3539. (37 citations*, DOI `10.3390/molecules25153539` ) ⭳Bib
40	M. Brehm, M. Thomas, S. Gehrke, B. Kirchner: "TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation" J. Chem. Phys. 2020, 152 (16), 164105. (582 citations*, DOI `10.1063/5.0005078` ) ⭳Bib
39	C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani: "Exploring Non-Equilibrium Molecular Dynamics of Mobile Protons in the Solid Acid CsH₂PO₄ on the Micrometer and Microsecond Scale" J. Chem. Phys. 2020, 152 (16)*, 164110. (6 citations, DOI `10.1063/5.0002167` ) ⭳Bib
38	C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani: "Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations" J. Chem. Phys. 2020, 152 (11)*, 114114. (9 citations, DOI `10.1063/1.5140635` ) ⭳Bib
37	L. Scarbath-Evers, R. Hammer, D. Golze, M. Brehm, D. Sebastiani, W. Widdra: "From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth" Nanoscale 2020*, 12, 3834–3845. (5 citations, DOI `10.1039/C9NR06592J` ) ⭳Bib

— 2019 —

36	M. Brehm, M. Thomas: "Computing Bulk Phase Resonance Raman Spectra from ab initio Molecular Dynamics and Real-Time TDDFT" J. Chem. Theory Comput. 2019, 15 (7)*, 3901–3905. (19 citations, DOI `10.1021/acs.jctc.9b00512` ) ⭳Bib
35	M. Brehm, M. Pulst, J. Kressler, D. Sebastiani: "Triazolium-Based Ionic Liquids – A Novel Class of Cellulose Solvents" J. Phys. Chem. B 2019, 123 (18), 3994–4003. (59 citations*, DOI `10.1021/acs.jpcb.8b12082` ) ⭳Bib

— 2018 —

34	M. Brehm, M. Thomas: "An Efficient Lossless Compression Algorithm for Trajectories of Atom Positions and Volumetric Data" J. Chem. Inf. Model. 2018, 58 (10)*, 2092–2107. (14 citations, DOI `10.1021/acs.jcim.8b00501` ) ⭳Bib
33	U. Cerajewski, J. Träger, S. Henkel, A. H. Roos, M. Brehm, D. Hinderberger: "Nanoscopic Structures and Molecular Interactions Leading to a Dystectic and two Eutectic Points in [EMIm][Cl] / Urea Mixtures" Phys. Chem. Chem. Phys. 2018*, 20, 29591–29600. (15 citations, DOI `10.1039/C8CP04912B` ) ⭳Bib
32	S. Pylaeva, M. Brehm, D. Sebastiani: "Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effects" Sci. Rep. 2018, 8, 13626. (62 citations*, DOI `10.1038/s41598-018-31935-z` ) ⭳Bib
31	M. Brehm, D. Sebastiani: "Simulating Structure and Dynamics in Small Droplets of 1-Ethyl-3-Methylimidazolium Acetate" J. Chem. Phys. 2018, 148, 193802. (23 citations*, DOI `10.1063/1.5010342` ) ⭳Bib
30	S. Gehrke, M. von Domaros, R. Clark, O. Hollóczki, M. Brehm, T. Welton, A. Luzar, B. Kirchner: "Structure and Lifetimes in Ionic Liquids and their Mixtures" Faraday Discuss. 2018, 206, 219–245. (87 citations*, DOI `10.1039/C7FD00166E` ) ⭳Bib

— 2017 —

29	M. Brehm, A. Kafka, M. Bamler, R. Kühne, G. Schüürmann, L. Sikk, J. Burk, P. Burk, T. Tamm, K. Tämm, S. Pokhrel, L. Mädler, A. Kahru, V. Aruoja, M. Sihtmäe, J. Scott-Fordsmand, P. B. Sorensen, L. Escorihuela, C. P. Roca, A. Fernández, F. Giralt, R. Rallo: "An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project." Adv. Exp. Med. Biol. 2017, 947*, 257–301. (8 citations, DOI `10.1007/978-3-319-47754-1_9` ) ⭳Bib
28	C. Peschel, M. Brehm, D. Sebastiani: "Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)" Polymers 2017, 9 (9)*, 445. (2 citations, DOI `10.3390/polym9090445` ) ⭳Bib
27	M. Brehm, G. Saddiq, T. Watermann, D. Sebastiani: "Influence of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine Bilayers" J. Phys. Chem. B 2017, 121 (35)*, 8311–8321. (8 citations, DOI `10.1021/acs.jpcb.7b06520` ) ⭳Bib
26	M. Brehm, M. Thomas: "Computing Bulk Phase Raman Optical Activity Spectra from ab initio Molecular Dynamics Simulations" J. Phys. Chem. Lett. 2017, 8 (14), 3409–3414. (29 citations*, DOI `10.1021/acs.jpclett.7b01616` ) ⭳Bib
25	C. Slawik, C. Rickmeyer, M. Brehm, A. Böhme, G. Schüürmann: "Glutathione Adduct Patterns of Michael-Acceptor Carbonyls" Environ. Sci. Technol. 2017, 51 (7), 4018–4026. (21 citations*, DOI `10.1021/acs.est.6b04981` ) ⭳Bib

— 2015 —

24	M. Cooper, A. Wagner, D. Wondrousch, F. Sonntag, A. Sonnabend, M. Brehm, G. Schüürmann, L. Adrian: "Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling" Environ. Sci. Technol. 2015, 49 (10), 6018–6028. (61 citations*, DOI `10.1021/acs.est.5b00303` ) ⭳Bib
23	M. Thomas, M. Brehm, B. Kirchner: "Voronoi Dipole Moments for the Simulation of Bulk Phase Vibrational Spectra" Phys. Chem. Chem. Phys. 2015, 17, 3207–3213. (107 citations, DOI `10.1039/C4CP05272B` ) ⭳Bib
22	M. Brehm, H. Weber, M. Thomas, O. Hollóczki, B. Kirchner: "Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids" ChemPhysChem 2015, 16 (15), 3271–3277. (121 citations*, DOI `10.1002/cphc.201500471` ) ⭳Bib
21	O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner: "Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures" ChemPhysChem 2015, 16 (15), 3325–3333. (129 citations*, DOI `10.1002/cphc.201500473` ) ⭳Bib

— 2014 —

20	A. Stark, M. Brehm, M. Brüssel, S. B. C. Lehmann, A. S. Pensado, M. Schöppke, B. Kirchner: "A Theoretical and Experimental Chemist’s Joint View on Hydrogen Bonding in Ionic Liquids and Their Binary Mixtures" Top. Curr. Chem. 2014, 351, 149–187. (39 citations*, DOI `10.1007/128_2013_485` ) ⭳Bib
19	M. Thomas, M. Brehm, O. Hollóczki, Z. Kelemen, L. Nyulászi, T. Pasinszki, B. Kirchner: "Simulating the Vibrational Spectra of Ionic Liquid Systems: 1-Ethyl-3-Methylimidazolium Acetate and its Mixtures" J. Chem. Phys. 2014, 141, 024510. (87 citations, DOI `10.1063/1.4887082` ) ⭳Bib
18	R. Giernoth, A. Bröhl, M. Brehm, Y. Lingscheid: "Interactions in Ionic Liquids probed by in situ NMR Spectroscopy" J. Mol. Liq. 2014, 192, 55–58. (34 citations*, DOI `10.1016/j.molliq.2013.07.010` ) ⭳Bib
17	S. Zahn, M. Brehm, M. Brüssel, O. Hollóczki, M. Kohagen, S. B. C. Lehmann, F. Malberg, A. S. Pensado, M. Schöppke, H. Weber, B. Kirchner: "Understanding Ionic Liquids from Theoretical Methods" J. Mol. Liq. 2014, 192, 71–76. (64 citations*, DOI `10.1016/j.molliq.2013.08.015` ) ⭳Bib
16	M. Thomas, M. Brehm, O. Hollóczki, B. Kirchner: "How Can a Carbene be Active in an Ionic Liquid?" Chem. Eur. J 2014, 20 (6), 1622–1629. (49 citations, DOI `10.1002/chem.201303329` ) ⭳Bib

— 2013 —

15	F. Malberg, M. Brehm, O. Hollóczki, A. S. Pensado, B. Kirchner: "Understanding the Evaporation of Ionic Liquids using the Example of 1-Ethyl-3-Methylimidazolium Ethylsulfate" Phys. Chem. Chem. Phys. 2013, 15, 18424–18436. (31 citations*, DOI `10.1039/C3CP52966E` ) ⭳Bib
14	M. Thomas, M. Brehm, R. Fligg, P. Vöhringer, B. Kirchner: "Computing Vibrational Spectra from ab initio Molecular Dynamics" Phys. Chem. Chem. Phys. 2013, 15, 6608–6622. (484 citations*, DOI `10.1039/C3CP44302G` ) ⭳Bib
13	M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner: "Liquid Structure and Cluster Formation in Ionic Liquid/Water Mixtures – An Extensive ab initio Molecular Dynamics Study on 1-Ethyl-3-Methylimidazolium Acetate/Water Mixtures – Part 2" Z. Phys. Chem. 2013, 227, 177–203. (51 citations*, DOI `10.1524/zpch.2012.0327` ) ⭳Bib
12	O. Hollóczki, D. S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, B. Kirchner: "Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?" J. Phys. Chem. B 2013, 117 (19), 5898–5907. (108 citations, DOI `10.1021/jp4004399` ) ⭳Bib

— 2012 —

11	M. Brüssel, E. Perlt, M. von Domaros, M. Brehm, B. Kirchner: "A One-Parameter Quantum Cluster Equilibrium Approach" J. Chem. Phys. 2012, 137*, 164107. (12 citations, DOI `10.1063/1.4759154` ) ⭳Bib
10	M. Brüssel, M. Brehm, A. S. Pensado, F. Malberg, M. Ramzan, A. Stark, B. Kirchner: "On the Ideality of Binary Mixtures of Ionic Liquids" Phys. Chem. Chem. Phys. 2012, 14, 13204–13215. (94 citations, DOI `10.1039/C2CP41926B` ) ⭳Bib
9	K. Wendler, M. Brehm, F. Malberg, B. Kirchner, L. Delle Site: "Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra" J. Chem. Theory Comput. 2012, 8 (5), 1570–1579. (74 citations*, DOI `10.1021/ct300152t` ) ⭳Bib
8	M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner: "Proton Transfer and Polarity Changes in Ionic Liquid–Water Mixtures: A Perspective on Hydrogen Bonds from ab initio Molecular Dynamics at the Example of 1-Ethyl-3-Methylimidazolium Acetate–Water Mixtures—Part 1" Phys. Chem. Chem. Phys. 2012, 14, 5030–5044. (141 citations*, DOI `10.1039/C2CP23983C` ) ⭳Bib
7	A. S. Pensado, M. Brehm, J. Thar, A. P. Seitsonen, B. Kirchner: "Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-Methylimidazolium Thiocyanate" ChemPhysChem 2012, 13 (7), 1845–1853. (82 citations*, DOI `10.1002/cphc.201100917` ) ⭳Bib

— 2011 —

6	M. Kohagen, M. Brehm, Y. Lingscheid, R. Giernoth, J. Sangoro, F. Kremer, S. Naumov, C. Iacob, J. Kärger, R. Valiullin, B. Kirchner: "How Hydrogen Bonds Influence the Mobility of Imidazolium-Based Ionic Liquids. A Combined Theoretical and Experimental Study of 1-n-Butyl-3-Methylimidazolium Bromide" J. Phys. Chem. B 2011, 115 (51), 15280–15288. (121 citations*, DOI `10.1021/jp206974h` ) ⭳Bib
5	P. J. di Dio, M. Brehm, B. Kirchner: "Singular Value Decomposition for Analyzing Temperature- and Pressure-Dependent Radial Distribution Functions: Decomposition into Grund RDFs (GRDFs)" J. Chem. Theory Comput. 2011, 7 (10)*, 3035–3039. (2 citations, DOI `10.1021/ct2003385` ) ⭳Bib
4	M. Brüssel, M. Brehm, T. Voigt, B. Kirchner: "Ab initio Molecular Dynamics Simulations of a Binary System of Ionic Liquids" Phys. Chem. Chem. Phys. 2011, 13, 13617–13620. (71 citations*, DOI `10.1039/C1CP21550G` ) ⭳Bib
3	M. Kohagen, M. Brehm, J. Thar, W. Zhao, F. Müller-Plathe, B. Kirchner: "Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-Methylimidazolium Bromide" J. Phys. Chem. B 2011, 115 (4), 693–702. (141 citations*, DOI `10.1021/jp109612k` ) ⭳Bib
2	M. Brehm, B. Kirchner: "TRAVIS – A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories" J. Chem. Inf. Model. 2011, 51 (8), 2007–2023. (1155 citations*, DOI `10.1021/ci200217w` ) ⭳Bib ⮞ see all citing articles

— 2009 —

1 J. Thar, M. Brehm, A. P. Seitsonen, B. Kirchner*:
"Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids"
J. Phys. Chem. B 2009, 113 (46), 15129–15132. (114 citations, DOI 10.1021/jp908110j ) ⭳Bib

Co-Author List

I have published articles together with 183 different co-authors:

Joint Articles		Author Name
26	(show)	Barbara Kirchner
15	(show)	Daniel Sebastiani
11	(show)	Martin Thomas
8	(show)	Oldamur Hollóczki
7	(show)	Alfonso S. Pensado
6	(show)	Annegret Stark
5	(show)	Marc Brüssel
5	(show)	Eliane Roos
5	(show)	Henry Weber
4	(show)	Friedrich Malberg
4	(show)	Olga Russina
4	(show)	Alessandro Triolo
3	(show)	Valerio Di Lisio
3	(show)	Miriam Kohagen
3	(show)	Jörg Kreßler
3	(show)	Gerrit Schüürmann
3	(show)	Jens Thar
3	(show)	Moritz Weiß
2	(show)	J. Blasius
2	(show)	Vyacheslav Bryantsev
2	(show)	M.-A. Codescu
2	(show)	Christian Dreßler
2	(show)	Sascha Gehrke
2	(show)	Ralf Giernoth
2	(show)	Dorothea Golze
2	(show)	Dariush Hinderberger
2	(show)	Gabriel Kabbe
2	(show)	O. Kornilov
2	(show)	Sebastian B. C. Lehmann
2	(show)	Yves Lingscheid
2	(show)	Fabrizio Lo Celso
2	(show)	Erik Nibbering
2	(show)	Martin Pulst
2	(show)	J. Radicke
2	(show)	Santanu Roy
2	(show)	Matthias Schöppke
2	(show)	Ari P. Seitsonen
2	(show)	Michael von Domaros
1	(show)	Lorenz Adrian
1	(show)	V. Alizadeh
1	(show)	V. Aruoja
1	(show)	Markus Bamler
1	(show)	S. Banerjee
1	(show)	Z. Barhoumi
1	(show)	M. Bauer
1	(show)	B. Birenheide
1	(show)	F. Breher
1	(show)	Andreas Bröhl
1	(show)	J. Burk
1	(show)	P. Burk
1	(show)	A. Bussy
1	(show)	Alexander Böhme
1	(show)	F. Castiglione
1	(show)	Ulrike Cerajewski
1	(show)	R. Chahal
1	(show)	P. Chater
1	(show)	A. Chaumont
1	(show)	J. Cheramy
1	(show)	R. Clark
1	(show)	Myriel Cooper
1	(show)	R. Cybik
1	(show)	S. Dai
1	(show)	Luigi Delle Site
1	(show)	Philipp di Dio
1	(show)	A. K. Dutta
1	(show)	R. Dötzer
1	(show)	J. Eisermann
1	(show)	H. Elgabarty
1	(show)	L. Escorihuela
1	(show)	A. Fernández
1	(show)	Dzmitry S. Firaha
1	(show)	R. Fligg
1	(show)	H. Forbert
1	(show)	Joachim Friedrich
1	(show)	T. Frömbgen
1	(show)	L. Gallington
1	(show)	Francesc Giralt
1	(show)	C. Gradaus
1	(show)	M. Graml
1	(show)	B. Sertcan Gökmen
1	(show)	P. Halstenberg
1	(show)	Rene Hammer
1	(show)	A.-S. Hehn
1	(show)	Selgar Henkel
1	(show)	J. Hunold
1	(show)	J. Hutter
1	(show)	C. Iacob
1	(show)	M. Iannuzzi
1	(show)	A. Ivanov
1	(show)	Alexander Kafka
1	(show)	A. Kahru
1	(show)	Z. Kelemen
1	(show)	T. Kenter
1	(show)	R. Khaliullin
1	(show)	A. Knüpfer
1	(show)	A. Kozhevnikov
1	(show)	M. Krack
1	(show)	Friedrich Kremer
1	(show)	F. Krämer
1	(show)	T. Kunze
1	(show)	Jörg Kärger
1	(show)	L. Köring
1	(show)	Ralph Kühne
1	(show)	T. Kühne
1	(show)	S. Lam
1	(show)	M. Lass
1	(show)	Alenka Luzar
1	(show)	M. Macchiagodena
1	(show)	S. Mahurin
1	(show)	D. Maltsev
1	(show)	E. Mangiacapre
1	(show)	Š. Marek
1	(show)	Claudio Margulis
1	(show)	A. Martinelli
1	(show)	D. Marx
1	(show)	A. Mele
1	(show)	R. Meli
1	(show)	H. Mirhosseini
1	(show)	M. Mukherjee
1	(show)	L. Mädler
1	(show)	Florian Müller-Plathe
1	(show)	S. Naumov
1	(show)	L. Nyulászi
1	(show)	J. Paradies
1	(show)	T. Pasinszki
1	(show)	Christopher Peschel
1	(show)	M. E. Di Pietro
1	(show)	C. Plessl
1	(show)	S. Pokhrel
1	(show)	J. Pototschnig
1	(show)	Svetlana Pylaeva
1	(show)	Robert Rallo
1	(show)	M. Ramzan
1	(show)	C. Rickmeyer
1	(show)	Christoph Riplinger
1	(show)	C. P. Roca
1	(show)	Andreas H. Roos
1	(show)	V. Rybkin
1	(show)	Ghulam Saddiq
1	(show)	J. Sangoro
1	(show)	Laura Scarbath-Evers
1	(show)	R. Schade
1	(show)	R. Schoch
1	(show)	C. Schran
1	(show)	O. Schütt
1	(show)	J. Scott-Fordsmand
1	(show)	F. Shaabani
1	(show)	S. Sharma
1	(show)	M. Sihtmäe
1	(show)	L. Sikk
1	(show)	Christian Slawik
1	(show)	A. Sonnabend
1	(show)	F. Sonntag
1	(show)	P. B. Sorensen
1	(show)	F. Stein
1	(show)	J. Steube
1	(show)	S. Taherivardanjani
1	(show)	M. Taillefumier
1	(show)	T. Tamm
1	(show)	M. Tiemann
1	(show)	D. Tripathi
1	(show)	Jennica Träger
1	(show)	K. Tämm
1	(show)	R. Valiullin
1	(show)	Thomas Voigt
1	(show)	Eva von Domaros
1	(show)	Peter Vöhringer
1	(show)	A. Wagner
1	(show)	Tobias Watermann
1	(show)	C. Weinberger
1	(show)	Tom Welton
1	(show)	Katharina Wendler
1	(show)	J. O. Wenzel
1	(show)	Wolf Widdra
1	(show)	M. Wild
1	(show)	J. Wilhelm
1	(show)	Dominik Wondrousch
1	(show)	F. Wu
1	(show)	Yunjie Xu
1	(show)	Y. Yang
1	(show)	Stefan Zahn
1	(show)	W. Zhao
1	(show)	Z. Zhao

Most Frequent Journals

I have published articles in 25 different journals:

Articles		Journal
9	(show)	J. Phys. Chem. B
9	(show)	Phys. Chem. Chem. Phys.
7	(show)	J. Chem. Phys.
5	(show)	Molecules
4	(show)	ChemPhysChem
4	(show)	J. Chem. Theory Comput.
3	(show)	J. Chem. Inf. Model.
3	(show)	J. Mol. Liq.
2	(show)	Environ. Sci. Technol.
2	(show)	J. Phys. Chem. A
2	(show)	J. Phys. Chem. Lett.
1	(show)	Adv. Exp. Med. Biol.
1	(show)	Adv. Funct. Mater.
1	(show)	Cellulose
1	(show)	Chem. Eur. J
1	(show)	Entropy
1	(show)	Eur. J. Inorg. Chem.
1	(show)	Faraday Discuss.
1	(show)	J. Polym. Sci.
1	(show)	JACS Au
1	(show)	Nanoscale
1	(show)	Polymers
1	(show)	Sci. Rep.
1	(show)	Top. Curr. Chem.
1	(show)	Z. Phys. Chem.