Exploring Digital Twin Applications in Accelerating PV Material Research
Prof. Dr. Ana-Suncana Smith
Institute of Theoretical Physics
Professur für Theoretische Physik (Prof. Dr. Smith)
Cauerstraße 3
91058 Erlangen
- Phone number: +49 9131 85-70565
- Fax number: +49 9131 85-70518
- Email: smith@physik.uni-erlangen.de
- Website: http://puls.physik.fau.de/
Publications
2024
- Höllring, K., Baer, A., Vučemilović-Alagić, N., Smith, D.M., & Smith, A.-S. (2024). Anisotropic molecular diffusion in confinement II: A model for structurally complex particles applied to transport in thin ionic liquid films. Journal of Colloid and Interface Science, 657, 272-289. https://doi.org/10.1016/j.jcis.2023.11.137
- Lüer, L., Peters, I.M., Smith, A.-S., Dorschky, E., Eskofier, B., Liers-Bergmann, F.,... Brabec, C. (2024). A digital twin to overcome long-time challenges in photovoltaics. Joule, 8, 1-17. https://doi.org/10.1016/j.joule.2023.12.010
2023
- Abdelrahman, A., Smith, A.-S., & Sengupta, K. (2023). Observing Membrane and Cell Adhesion via Reflection Interference Contrast Microscopy. In (pp. 123-135). Humana Press Inc..
- Geyer, D., Ziegler, S., Sukhov, A., Hubert, M., Smith, A.-S., Aouane, O.,... Harting, J. (2023). Lattice Boltzmann Simulations of Two Linear Microswimmers Using the Immersed Boundary Method. Communications in Computational Physics, 33(1), 310-329. https://doi.org/10.4208/cicp.OA-2022-0056
- Hilpert, F., Liao, P.-C., Franz, E., Koch, V., Fromm, L., Topraksal, E.,... Libuda, J. (2023). Mechanistic Insight into Solution-Based Atomic Layer Deposition of CuSCN Provided by In Situ and Ex Situ Methods. ACS Applied Materials and Interfaces, 19536–19544. https://doi.org/10.1021/acsami.2c16943
- Höllring, K., Baer, A., Vučemilović-Alagić, N., Smith, D.M., & Smith, A.-S. (2023). Anisotropic molecular diffusion in confinement I: Transport of small particles in potential and density gradients. Journal of Colloid and Interface Science, 650, 1930-1940. https://doi.org/10.1016/j.jcis.2023.07.088
- Höllring, K., Vurnek, D., Gehrer, S., Dudziak, D., Hubert, M., & Smith, A.-S. (2023). Morphology as indicator of adaptive changes of model tissues in osmotically and chemically changing environments. Biomaterials Advances, 154. https://doi.org/10.1016/j.bioadv.2023.213635
- Livraghi, M., Pahi, S., Nowakowski, P., Smith, D.M., Wick, C., & Smith, A.-S. (2023). Block Chemistry for Accurate Modeling of Epoxy Resins. Journal of Physical Chemistry B. https://doi.org/10.1021/acs.jpcb.3c04724
- Nowakowski, P., Stumpf, B.H., Smith, A.-S., & Maciołek, A. (2023). Demixing of homogeneous binary lipid membranes induced by protein inclusions. Physical Review E, 107(5). https://doi.org/10.1103/PhysRevE.107.054120
- Qi, C., Zhang, J., Smith, A.-S., & Li, L. (2023). Stochastic dynamics of substrate non-uniform stiffness affecting molecular adhesion in cell-substrate interface subjected to tensile loading. Journal of Applied Physics, 133(22). https://doi.org/10.1063/5.0144595
2022
- Baer, A., Malgaretti, P., Kaspereit, M., Harting, J., & Smith, A.-S. (2022). Modelling diffusive transport of particles interacting with slit nanopore walls: The case of fullerenes in toluene filled alumina pores. Journal of Molecular Liquids, 368, 120636. https://doi.org/10.1016/j.molliq.2022.120636
- Grötsch, B., Schachtschabel, E., Tripal, P., Schmid, B., Smith, A.-S., Schett, G., & Bozec, A. (2022). Inflammatory activation of the FcγR and IFNγR pathways co-influences the differentiation and activity of osteoclasts. Frontiers in Immunology, 13. https://doi.org/10.3389/fimmu.2022.958974
- Janeš, J.A., Monzel, C., Schmidt, D., Merkel, R., Seifert, U., Sengupta, K., & Smith, A.-S. (2022). First-Principle Coarse-Graining Framework for Scale-Free Bell-Like Association and Dissociation Rates in Thermal and Active Systems. Physical Review X, 12(3). https://doi.org/10.1103/PhysRevX.12.031030
- Koch, V., Charvot, J., Cao, Y., Hartmann, C., Wilks, R.G., Kundrata, I.,... Bachmann, J. (2022). Sb2Se3Thin-Film Growth by Solution Atomic Layer Deposition. Chemistry of Materials. https://doi.org/10.1021/acs.chemmater.2c01550
- Seidl, V., Bosch, M., Paap, U., Livraghi, M., Zhai, Z., Wick, C.,... Meyer, K. (2022). Bis-polyethylene glycol-functionalized imidazolium ionic liquids: A multi-method approach towards bulk and surface properties. Journal of Ionic Liquids, 2, 100041. https://doi.org/10.1016/j.jil.2022.100041
- Wick, C., Topraksal, E., Smith, D.M., & Smith, A.-S. (2022). Evaluating the predictive character of the method of constrained geometries simulate external force with density functional theory. Forces in Mechanics, 9. https://doi.org/10.1016/j.finmec.2022.100143
- Wolf, P., Wick, C., Mehler, J., Blaumeiser, D., Schötz, S., Bauer, T.,... Haumann, M. (2022). Improving the Performance of Supported Ionic Liquid Phase Catalysts for the Ultra-Low-Temperature Water Gas Shift Reaction Using Organic Salt Additives. ACS Catalysis, 12(9), 5661-5672. https://doi.org/10.1021/acscatal.1c05979
- Ziegler, S., & Smith, A.-S. (2022). Hydrodynamic particle interactions in linear and radial viscosity gradients. Journal of Fluid Mechanics, 943. https://doi.org/10.1017/jfm.2022.421
2021
- Birang Oskouei, S., Park, H.S., Smith, A.-S., & Steinmann, P. (2021). Atomistic configurational forces in crystalline fracture. Forces in Mechanics, 4, 100044. https://doi.org/10.1016/j.finmec.2021.100044
- Birang Oskouei, S., Smith, A.-S., & Steinmann, P. (2021). Configurational Forces in Bond Order Potentials. Proceedings in Applied Mathematics and Mechanics, 21. https://doi.org/10.1002/pamm.202100160
- Birang Oskouei, S., Smith, A.-S., & Steinmann, P. (2021). Phonon-based thermal configurational forces: Definitions and applications in rupture of semiconductors. Engineering Fracture Mechanics, 257. https://doi.org/10.1016/j.engfracmech.2021.108014
- Blackwell, R., Hemmerle, A., Baer, A., Späth, M., Peukert, W., Parsons, D.,... Smith, A.-S. (2021). On the control of dispersion interactions between biological membranes and protein coated biointerfaces. Journal of Colloid and Interface Science, 598, 464-473. https://doi.org/10.1016/j.jcis.2021.02.078
- Heger, L., Lühr, J.J., Amon, L., Smith, A.-S., Eissing, N., & Dudziak, D. (2021). Six-Color Confocal Immunofluorescence Microscopy with 4-Laser Lines. In Methods in Molecular Biology. (pp. 21-30). Humana Press Inc..
- Hubert, M., Trosman, O., Collard, Y., Sukhov, A., Harting, J., Vandewalle, N., & Smith, A.-S. (2021). Scallop Theorem and Swimming at the Mesoscale. Physical Review Letters, 126(22). https://doi.org/10.1103/PhysRevLett.126.224501
- Kaliman, S., Hubert, M., Wollnik, C., Nuic, L., Vurnek, D., Gehrer, S.,... Smith, A.-S. (2021). Mechanical Regulation of Epithelial Tissue Homeostasis. Physical Review X, 11(3). https://doi.org/10.1103/PhysRevX.11.031029
- Li, L., Kamal, M.A., Stumpf, B.H., Thibaudau, F., Sengupta, K., & Smith, A.-S. (2021). Biomechanics as driver of aggregation of tethers in adherent membranes. Soft Matter. https://doi.org/10.1039/d1sm00921d
- Li, L., Stumpf, B.H., & Smith, A.-S. (2021). Molecular biomechanics controls protein mixing and segregation in adherent membranes. International Journal of Molecular Sciences, 22(7). https://doi.org/10.3390/ijms22073699
- Livraghi, M., Höllring, K., Wick, C., Smith, D.M., & Smith, A.-S. (2021). An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.1c00423
- Lühr, J., Alex, N., Amon, L., Kraeter, M., Kubankova, M., Sezgin, E.,... Dudziak, D. (2021). Maturation of monocyte-derived DCs leads to increased cellular stiffness, higher membrane fluidity, and changed lipid composition. In EUROPEAN JOURNAL OF IMMUNOLOGY (pp. 235-235). HOBOKEN: WILEY.
- Marion, S., Vucemilovic-Alagic, N., Spadina, M., Radenovic, A., & Smith, A.-S. (2021). From Water Solutions to Ionic Liquids with Solid State Nanopores as a Perspective to Study Transport and Translocation Phenomena. Small. https://doi.org/10.1002/smll.202100777
- Smith, A.-S. (2021). Biomechanical of adhesion - from basic principles to mechanisms of immune cell activity. In EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS (pp. 76-76). NEW YORK: SPRINGER.
- Steinmann, P., Smith, A.-S., Birang Oskouei, S., Birang, E., McBride, A., & Javili, A. (2021). Atomistic two-, three- and four-body potentials. Spatial and material settings. Journal of the Mechanics and Physics of Solids, 154. https://doi.org/10.1016/j.jmps.2021.104507
- Stumpf, H., Nowakowski, P., Eggeling, C., Maciolek, A., & Smith, A.-S. (2021). Protein induced lipid demixing in homogeneous membranes. Physical Review Research, 3(4). https://doi.org/10.1103/PhysRevResearch.3.L042013
- Sukhov, A., Hubert, M., Grosjean, G., Trosman, O., Ziegler, S., Collard, Y.,... Harting, J. (2021). Regimes of motion of magnetocapillary swimmers. European Physical Journal E, 44(4). https://doi.org/10.1140/epje/s10189-021-00065-2
- Toledo, E., Le Saux, G., Edri, A., Li, L., Rosenberg, M., Keidar, Y.,... Schvartzman, M. (2021). Molecular-scale spatio-chemical control of the activating-inhibitory signal integration in NK cells. Science Advances, 7(24). https://doi.org/10.1126/sciadv.abc1640
- Ziegler, S., Scheel, T., Hubert, M., Harting, J., & Smith, A.-S. (2021). Theoretical framework for two-microswimmer hydrodynamic interactions. New Journal of Physics, 23(7). https://doi.org/10.1088/1367-2630/ac1141
2020
- Blaumeiser, D., Stepic, R., Wolf, P., Wick, C., Haumann, M., Wasserscheid, P.,... Libuda, J. (2020). Cu carbonyls enhance the performance of Ru-based SILP water-gas shift catalysts: a combined in situ DRIFTS and DFT study. Catalysis: Science and Technology, 10(1), 252-262. https://doi.org/10.1039/c9cy01852b
- Grebnev, G., Cvitkovic, M., Fritz, C., Cai, G., Smith, A.-S., & Kost, B. (2020). Quantitative Structural Organization of Bulk Apical Membrane Traffic in Pollen Tubes. Plant Physiology, 183(4), 1559-1585. https://doi.org/10.1104/pp.20.00380
- Kulyk, N., Berger, D., Smith, A.-S., & Harting, J. (2020). Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme. Computer Physics Communications, 256. https://doi.org/10.1016/j.cpc.2020.107443
- Luhr, J.J., Alex, N., Amon, L., Krater, M., Kubankova, M., Sezgin, E.,... Guck, J. (2020). Maturation of Monocyte-Derived DCs Leads to Increased Cellular Stiffness, Higher Membrane Fluidity, and Changed Lipid Composition. Frontiers in Immunology, 11. https://doi.org/10.3389/fimmu.2020.590121
- Stepic, R., Jurković, L., Klementyeva, K., Ukrainczyk, M., Gredičak, M., Smith, D.M.,... Smith, A.-S. (2020). Adsorption of Aspartate Derivatives to Calcite Surfaces in Aqueous Environment. Crystal Growth and Design, 20(5), 2853-2859. https://doi.org/10.1021/acs.cgd.0c00061
- Stumpf, H., Ambriović-Ristov, A., Radenovic, A., & Smith, A.-S. (2020). Recent Advances and Prospects in the Research of Nascent Adhesions. Frontiers in Physiology, 11. https://doi.org/10.3389/fphys.2020.574371
- Vučemilović-Alagić, N., Banhatti, R.D., Stepic, R., Wick, C., Berger, D., Gaimann, M.U.,... Smith, A.-S. (2020). Structural characterization of an ionic liquid in bulk and in nano-confined environment using data from MD simulations. Data in Brief, 28. https://doi.org/10.1016/j.dib.2019.104794
News and Recent Accomplishments
- Renate-Wittern-Sterzel-Prize for organizing the DIPHER-22 (Diversity in Physics for the Diversity of Physics – Erlangen) conference. With this award, the university leadership would like to support the DIPHER-22 conference and its extremely important contribution to establishing the topics of gender and diversity at the Faculty of Sciences.
A Digital Twin to Overcome Long-time Challenges in Photovoltaics
A Digital Twin to overcome long-time challenges in Photovoltaics
