@articleLass_Kenter_Plessl_Brehm_2024, title=Characterizing Microheterogeneity in Liquid Mixtures via Local Density Fluctuations, volume=26, DOI=10.3390/e26040322, number=4322, journal=Entropy, publisher=MDPI AG, author=Lass, Michael and Kenter, Tobias and Plessl, Christian and Brehm, Martin, year=2024 
LibreCat: /record/53474
DOI: 10.3390/e26040322

@articleCodescu_Kunze_Weiß_Brehm_Kornilov_Sebastiani_Nibbering_2023, title=Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole, volume=14, DOI=10.1021/acs.jpclett.3c00595, journal=J. Phys. Chem. Lett., author=Codescu, M.-A. and Kunze, T. and Weiß, M. and Brehm, Martin and Kornilov, O. and Sebastiani, D. and Nibbering, E. T. J., year=2023, pages=4775–4785 
LibreCat: /record/45013
DOI: 10.1021/acs.jpclett.3c00595

@articleRoos_Sebastiani_Brehm_2023, title=A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 2: Cellulose in [EMIm][OAc] / Water Mixtures, volume=25 (12), DOI=10.1039/D2CP05636D, journal=Phys. Chem. Chem. Phys., author=Roos, E. and Sebastiani, D. and Brehm, Martin, year=2023, pages=8755–8766 
LibreCat: /record/45012
DOI: 10.1039/D2CP05636D

@articleRadicke_Roos_Sebastiani_Brehm_Kressler_2023, title=Lactate-Based Ionic Liquids as Chiral Solvents for Cellulose, volume=61 (5), DOI=10.1002/pol.20220687, journal=J. Polym. Sci., author=Radicke, J. and Roos, E. and Sebastiani, D. and Brehm, Martin and Kressler, J., year=2023, pages=372–384 
LibreCat: /record/45011
DOI: 10.1002/pol.20220687

@articleYang_Cheramy_Brehm_Xu_2022, title=Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The “Clusters-in-a-Liquid”10.1002/cphc.202200161__Model and ab initio Molecular Dynamics Simulations, volume=23 (11), DOI=10.1002/cphc.202200161, journal=ChemPhysChem, author=Yang, Y. and Cheramy, J. and Brehm, Martin and Xu, Y., year=2022, pages=e202200161 
LibreCat: /record/45007
DOI: 10.1002/cphc.202200161

@articleChahal_Roy_Brehm_Banerjee_Bryantsev_Lam_2022, title=Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–Zr Molten Salt, volume=2 (12), DOI=10.1021/jacsau.2c00526, journal=JACS Au, author=Chahal, R. and Roy, S. and Brehm, Martin and Banerjee, S. and Bryantsev, V. and Lam, S., year=2022, pages=2693–2702 
LibreCat: /record/45010
DOI: 10.1021/jacsau.2c00526

@articleTaherivardanjani_Blasius_Brehm_Dötzer_Kirchner_2022, title=Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives, volume=126 (40), DOI=10.1021/acs.jpca.2c03133, journal=J. Phys. Chem. A, author=Taherivardanjani, S. and Blasius, J. and Brehm, Martin and Dötzer, R. and Kirchner, B., year=2022, pages=7070–7083 
LibreCat: /record/45008
DOI: 10.1021/acs.jpca.2c03133

@articleFrömbgen_Blasius_Alizadeh_Chaumont_Brehm_Kirchner_2022, title=Cluster Analysis in Liquids: A Novel Tool in TRAVIS, volume=62 (22), DOI=10.1021/acs.jcim.2c01244, journal=J. Chem. Inf. Model., author=Frömbgen, T. and Blasius, J. and Alizadeh, V. and Chaumont, A. and Brehm, Martin and Kirchner, B., year=2022, pages=5634–5644 
LibreCat: /record/45009
DOI: 10.1021/acs.jcim.2c01244

@articleRoos_Brehm_2021, title=A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures, volume=23, DOI=10.1039/D0CP04537C, journal=Phys. Chem. Chem. Phys., author=Roos, E. and Brehm, Martin, year=2021, pages=1242–1253 
LibreCat: /record/45001
DOI: 10.1039/D0CP04537C

@articleBrehm_Thomas_2021, title=Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations, volume=26 (7), DOI=10.3390/molecules26071875, journal=Molecules, author=Brehm, Martin and Thomas, M., year=2021, pages=1875 
LibreCat: /record/45004
DOI: 10.3390/molecules26071875

@articleRoy_Brehm_Sharma_Wu_Maltsev_Halstenberg_Gallington_Mahurin_Dai_Ivanov_et al._2021, title=Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics, volume=125 (22), DOI=10.1021/acs.jpcb.1c03786, journal=J. Phys. Chem. B, author=Roy, S. and Brehm, Martin and Sharma, S. and Wu, F. and Maltsev, D. and Halstenberg, P. and Gallington, L. and Mahurin, S. and Dai, S. and Ivanov, A. and et al., year=2021, pages=5971–5982 
LibreCat: /record/45005
DOI: 10.1021/acs.jpcb.1c03786

@articleTriolo_Pietro_Mele_Celso_Brehm_Lisio_Martinelli_Chater_Russina_2021, title=Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent, volume=154, DOI=10.1063/5.0054048, journal=J. Chem. Phys., author=Triolo, A. and Pietro, M. E. Di and Mele, A. and Celso, F. Lo and Brehm, Martin and Lisio, V. Di and Martinelli, A. and Chater, P. and Russina, O., year=2021, pages=244501 
LibreCat: /record/45006
DOI: 10.1063/5.0054048

@articleCodescu_Weiß_Brehm_Kornilov_Sebastiani_Nibbering_2021, title=Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate, volume=125 (9), DOI=10.1021/acs.jpca.0c10191, journal=J. Phys. Chem. A, author=Codescu, M.-A. and Weiß, M. and Brehm, Martin and Kornilov, O. and Sebastiani, D. and Nibbering, E. T. J., year=2021, pages=1845–1859 
LibreCat: /record/45003
DOI: 10.1021/acs.jpca.0c10191

@articleMukherjee_Tripathi_Brehm_Riplinger_Dutta_2021, title=Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study, volume=17 (1), DOI=10.1021/acs.jctc.0c00655, journal=J. Chem. Theory Comput., author=Mukherjee, M. and Tripathi, D. and Brehm, Martin and Riplinger, C. and Dutta, A. K., year=2021, pages=105–116 
LibreCat: /record/45000
DOI: 10.1021/acs.jctc.0c00655

@articleTriolo_Celso_Brehm_Lisio_Russina_2021, title=Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization, volume=331, DOI=10.1016/j.molliq.2021.115750, journal=J. Mol. Liq., author=Triolo, A. and Celso, F. Lo and Brehm, Martin and Lisio, V. Di and Russina, O., year=2021, pages=115750 
LibreCat: /record/45002
DOI: 10.1016/j.molliq.2021.115750

@articleDreßler_Kabbe_Brehm_Sebastiani_2020, title=Exploring Non-Equilibrium Molecular Dynamics of Mobile Protons in the Solid Acid CsPO4 on the Micrometer and Microsecond Scale, volume=152 (16), DOI=10.1063/5.0002167, journal=J. Chem. Phys., author=Dreßler, C. and Kabbe, G. and Brehm, Martin and Sebastiani, D., year=2020, pages=164110 
LibreCat: /record/44995
DOI: 10.1063/5.0002167

@articleBrehm_Radicke_Pulst_Shaabani_Sebastiani_Kressler_2020, title=Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions, volume=25 (15), DOI=10.3390/molecules25153539, journal=Molecules, author=Brehm, Martin and Radicke, J. and Pulst, M. and Shaabani, F. and Sebastiani, D. and Kressler, J., year=2020, pages=3539 
LibreCat: /record/44997
DOI: 10.3390/molecules25153539

@articleHunold_Eisermann_Brehm_Hinderberger_2020, title=Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water, volume=124 (39), DOI=10.1021/acs.jpcb.0c04863, journal=J. Phys. Chem. B, author=Hunold, J. and Eisermann, J. and Brehm, Martin and Hinderberger, D., year=2020, pages=8601–8609 
LibreCat: /record/44998
DOI: 10.1021/acs.jpcb.0c04863

@articleScarbath-Evers_Hammer_Golze_Brehm_Sebastiani_Widdra_2020, title=From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth, volume=12, DOI=10.1039/C9NR06592J, journal=Nanoscale, author=Scarbath-Evers, L. and Hammer, R. and Golze, D. and Brehm, Martin and Sebastiani, D. and Widdra, W., year=2020, pages=3834–3845 
LibreCat: /record/44993
DOI: 10.1039/C9NR06592J

@articleDreßler_Kabbe_Brehm_Sebastiani_2020, title=Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations, volume=152 (11), DOI=10.1063/1.5140635, journal=J. Chem. Phys., author=Dreßler, C. and Kabbe, G. and Brehm, Martin and Sebastiani, D., year=2020, pages=114114 
LibreCat: /record/44994
DOI: 10.1063/1.5140635