Publications

Michele Nottoli, Patrizia Mazzeo, Filippo Lipparini, Lorenzo Cupellini, and Benedetta Mennucci. A ΔSCF model for excited states within a polarisable embedding. Molecular physics, (121)9-10:e2089605, Taylor & Francis, 2023. [PUMA: sent fis]

Yuqicheng Zhu, Mohamed-Ali Tnani, Timo Jahnz, and Klaus Diepold. Active Transfer Prototypical Network : An Efficient Labeling Algorithm for Time-Series Data. Procedia computer science, (217):1427-1436, Elsevier, 2023. [PUMA: sent fis]

Benjamin Stamm, and Lambert Theisen. A Quasi-Optimal Factorization Preconditioner for Periodic Schrödinger Eigenstates in Anisotropically Expanding Domains. SIAM Journal on Numerical Analysis, (60)5:2508--2537, Society for Industrial & Applied Mathematics (SIAM), September 2022. [PUMA: unibibliographie theisen nmh ians fis] URL

Benjamin Stamm, and Lambert Theisen. A Quasi-Optimal Factorization Preconditioner for Periodic Schrödinger Eigenstates in Anisotropically Expanding Domains. SIAM Journal on Numerical Analysis, (60)5:2508--2537, Society for Industrial & Applied Mathematics (SIAM), September 2022. [PUMA: myown unibibliographie theisen nmh from:lamberttheisen ians fis] URL

Johannes Rettberg, Dominik Wittwar, Patrick Buchfink, Alexander Brauchler, Pascal Ziegler, Jörg Fehr, and Bernard Haasdonk. Port-Hamiltonian Fluid-Structure Interaction Modeling and Structure-Preserving Model Order Reduction of a Classical Guitar. 2022. [PUMA: simtech pn7 from:britsteiner ians fis] URL

B. Haasdonk, H. Kleikamp, M. Ohlberger, F. Schindler, and T. Wenzel. A new certified hierarchical and adaptive RB-ML-ROM surrogate model for parametrized PDEs. arXiv, 2022. [PUMA: ians fis] URL

B. Haasdonk, H. Kleikamp, M. Ohlberger, F. Schindler, and T. Wenzel. A new certified hierarchical and adaptive RB-ML-ROM surrogate model for parametrized PDEs. arXiv, 2022. [PUMA: from:britsteiner ians fis] URL

Decky Aspandi Latif, Federico Sukno, Björn W. Schuller, and Xavier Binefa. Audio-Visual Gated-Sequenced Neural Networks for Affect Recognition. IEEE transactions on affective computing, (14)3:2193-2208, IEEE, 2022. [PUMA: sent ubs_10005 ubs_20008 ubs_40410 ubs_30082 fis]

Alexander Feierle, Fabian Schlichtherle, and Klaus Bengler. Augmented Reality Head-Up Display : A Visual Support During Malfunctions in Partially Automated Driving?. IEEE transactions on intelligent transportation systems, (23)5:4853-4865, IEEE, 2022. [PUMA: ubs_20011 sent ubs_40415 ubs_10007 ubs_30106 fis]

Monique S. Patzner, Nora Kainz, Erik Lundin, Maximilian Barczok, Chelsea Smith, Elizabeth Herndon, Lauren Kinsman-Costello, Stefan Fischer, Daniel Straub, Sara Kleindienst, Andreas Kappler, and Casey Bryce. Seasonal Fluctuations in Iron Cycling in Thawing Permafrost Peatlands. Environmental science & technology, (56)7:4620-4631, American Chemical Society, 2022. [PUMA: ubs_20002 ubs_10002 liste ubs_30026 fis]

Monique S. Patzner, Merritt Logan, Amy M. McKenna, Robert B. Young, Zhe Zhou, Hanna Joss, Carsten W. Mueller, Carmen Hoeschen, Thomas Scholten, Daniel Straub, Sara Kleindienst, Thomas Borch, Andreas Kappler, and Casey Bryce. Microbial iron cycling during palsa hillslope collapse promotes greenhouse gas emissions before complete permafrost thaw. Communications earth & environment, (3):76, Springer, 2022. [PUMA: ubs_20002 oa ubs_10002 liste ubs_30026 fis]

Ricky S. Joshi, Maria Rigau, Carlos A. García-Prieto, Manuel Castro de Moura, David Piñeyro, Sebastian Moran, Veronica Davalos, Pablo Carrión, Manuel Ferrando-Bernal, Iñigo Olalde, Carles Lalueza-Fox, Arcadi Navarro, Carles Fernández-Tena, Decky Aspandi, Federico M. Sukno, Xavier Binefa, Alfonso Valencia, and Manel Esteller. Look-alike humans identified by facial recognition algorithms show genetic similarities. Cell reports, (40)8:111257, Elsevier, 2022. [PUMA: sent fis]

Gabriele Santin, Toni Karvonen, and Bernard Haasdonk. Sampling based approximation of linear functionals in reproducing kernel Hilbert spaces. BIT - numerical mathematics, (62)1:279-310, Springer, 2022. [PUMA: ians fis]

Shahnewaz Shuva, Patrick Buchfink, Oliver Röhrle, and Bernard Haasdonk. Reduced Basis Methods for Efficient Simulation of a Rigid Robot Hand Interacting with Soft Tissue. In Ivan Lirkov, and Svetozar Margenov (Eds.), Large-Scale Scientific Computing, 402--409, Springer International Publishing, 2022. [PUMA: liste peerReviewed pn5 from:britsteiner EXC2075 ians fis]

Richard Bluhm, and Gordon C. McCord. What Can We Learn from Nighttime Lights for Small Geographies? Measuremen Errors and Heterogeneous Elasticities. Remote sensing, (14)5:1190, MDPI, 2022. [PUMA: sent fis]

Johannes Rettberg, Dominik Wittwar, Patrick Buchfink, Alexander Brauchler, Pascal Ziegler, Jörg Fehr, and Bernard Haasdonk. Port-Hamiltonian Fluid-Structure Interaction Modeling and Structure-Preserving Model Order Reduction of a Classical Guitar. 2022. [PUMA: simtech pn7 ians fis] URL

Yu-Ming Huang, Natalia Jakus, Daniel Straub, Konstantinos T. Konstantinidis, Nia Blackwell, Andreas Kappler, and Sara Kleindienst. ‘Candidatus ferrigenium straubiae’ sp. nov., ‘Candidatus ferrigenium bremense’ sp. nov., ‘Candidatus ferrigenium altingense’ sp. nov., are autotrophic Fe(II)-oxidizing bacteria of the family Gallionellaceae. Systematic and applied microbiology, (45)3:126306, Elsevier, 2022. [PUMA: ubs_20002 ubs_10002 liste ubs_30026 fis]

Anh Van Le, Daniel Straub, Britta Planer-Friedrich, Stephan J. Hug, Sara Kleindienst, and Andreas Kappler. Microbial communities contribute to the elimination of As, Fe, Mn, and NH4+ from groundwater in household sand filters. The science of the total environment, (838)4:156496, Elsevier, 2022. [PUMA: ubs_20002 ubs_10002 liste ubs_30026 fis]

Daniel Horn, Matthias Gross, Maria Pfeiffer, and Marco Sonnberger. How Far Is Far Enough? : The Social Constitution of Geothermal Energy through Spacing Regulations. Sustainability, (14)1:496, MDPI, 2022. [PUMA: sent fis]

Melanie Heck, Seong Hyun Shon, and Christian Becker. Does Using Voice Authentication in Multimodal Systems Correlate With Increased Speech Interaction During Non-critical Routine Tasks?. IUI '22 : 27th International Conference on Intelligent User Interfaces, 868-877, Association for Computing Machinery, New York, 2022. [PUMA: sent fis]

Gabriele Santin, Toni Karvonen, and Bernard Haasdonk. Sampling based approximation of linear functionals in reproducing kernel Hilbert spaces. BIT - numerical mathematics, (62)1:279-310, Springer, 2022. [PUMA: from:britsteiner ians fis]

Arbeitsgruppe Elektronisches Publizieren DINI, and AG Forschungsinformationssysteme DINI. Gemeinsames Vokabular für Publikations- und Dokumenttypen. Humboldt-Universität zu Berlin, 2022. [PUMA: forschung vokabular kerndatensatz dini elektronisches ag forschungsinformationssysteme publikationen metadaten publizieren fis]

Melanie Heck, Janick Edinger, and Christian Becker. Lessons Learned from an Eye Tracking Study for Targeted Advertising in the Wild. 2022 IEEE International Conference on Pervasive Computing and Communications Workshops and other Affiliated Events (PerCom Workshops), 539-544, IEEE, Piscataway, 2022. [PUMA: sent fis]

Michele Nottoli, Aleksandr Mikhalev, Benjamin Stamm, and Filippo Lipparini. Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, (126)43:8827-8837, American Chemical Society, 2022. [PUMA: sent fis]

Sergey M. Abramov, Daniel Straub, Julian Tejada, Lars Grimm, Franziska Schädler, Bulaev, Harald Thorwarth, Ricardo Amils, Andreas Kappler, and Sara Kleindienst. Biogeochemical Niches of Fe-Cycling Communities Influencing Heavy Metal Transport along the Rio Tinto, Spain. Applied and environmental microbiology, (88)4:e02290-21, American Society for Microbiology, 2022. [PUMA: ubs_20002 ubs_10002 liste ubs_30026 fis]

Shahnewaz Shuva, Patrick Buchfink, Oliver Röhrle, and Bernard Haasdonk. Reduced Basis Methods for Efficient Simulation of a Rigid Robot Hand Interacting with Soft Tissue. In Ivan Lirkov, and Svetozar Margenov (Eds.), Large-Scale Scientific Computing, 402--409, Springer International Publishing, 2022. [PUMA: liste peerReviewed pn5 EXC2075 ians fis]

Richard Bluhm, Pascal Polonik, Kyle S. Hemes, Luke C. Sanford, Susanne A. Benz, Morgan C. Levy, Katharine L. Ricke, and Jennifer A. Burney. Disparate air pollution reductions during California’s COVID-19 economic shutdown. Nature sustainability, (5)6:509-517, Springer Nature, 2022. [PUMA: sent fis]

Giordano Mancini, Marco Fusè, Filippo Lipparini, Michele Nottoli, Giovanni Scalmani, and Vincenzo Barone. Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions : New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters. Journal of chemical theory and computation, (18)4:2479-2493, American Chemical Society, 2022. [PUMA: sent fis]

Dominik Wittwar, and Bernard Haasdonk. Convergence rates for matrix P-greedy variants. Numerical mathematics and advanced applications---ENUMATH 2019, (139):1195--1203, Springer, Cham, 2021. [PUMA: unibibliografie from:britsteiner ians fis] URL

Dominik Wittwar, and Bernard Haasdonk. Convergence rates for matrix P-greedy variants. Numerical mathematics and advanced applications---ENUMATH 2019, (139):1195--1203, Springer, Cham, 2021. [PUMA: unibibliografie ians fis] URL

Datentracking in der Wissenschaft: Aggregation und Verwendung bzw. Verkauf von Nutzungsdaten durch Wissenschaftsverlage. In Deutsche Forschungsgemeinschaft (Eds.), Jun 18, 2021. [PUMA: wissenschaftsverlage verlage forschungsinformationssysteme nutzungsdaten metadaten datentracking tracking fis] URL

Patrick Buchfink, Silke Glas, and Bernard Haasdonk. Symplectic Model Reduction of Hamiltonian Systems on Nonlinear Manifolds. 2021. [PUMA: pn5 prePrint from:britsteiner ians fis exc2075] URL

Natalia Jakus, Nia Blackwell, Karsten Osenbrück, Daniel Straub, James M. Byrne, Zhe Wang, David Glöckler, Martin Elsner, Tillmann Lueders, Peter Grathwohl, Sara Kleindienst, and Andreas Kappler. Nitrate Removal by a Novel Lithoautotrophic Nitrate-Reducing, Iron(II)-Oxidizing Culture Enriched from a Pyrite-Rich Limestone Aquifer. Applied and environmental microbiology, (87)16:e0046021, American Society for Microbiology, 2021. [PUMA: ubs_20002 ubs_10002 liste ubs_30026 fis]

Yu-Ming Huang, Daniel Straub, Andreas Kappler, Nicole Smith, Nia Blackwell, and Sara Kleindienst. A Novel Enrichment Culture Highlights Core Features of Microbial Networks Contributing to Autotrophic Fe(II) Oxidation Coupled to Nitrate Reduction. Microbial physiology, (31)3:280-295, Karger, 2021. [PUMA: ubs_20002 ubs_10002 liste ubs_30026 fis]

Veronica Macaluso, Shaima Hashem, Michele Nottoli, Filippo Lipparini, Lorenzo Cupellini, and Benedetta Mennucci. Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, (125)36:10282-10292, American Chemical Society, 2021. [PUMA: sent fis]

Melanie Heck, Janick Edinger, and Christian Becker. Conditioning Gaze-Contingent Systems for the Real World : Insights from a Field Study in the Fast Food Industry. In Yoshifumi Kitamura, Aaron Quigley, Katherine Isbister, and Takeo Igarashi (Eds.), CHI EA '21 : Extended Abstracts of the 2021 CHI Conference on Human Factors in Computing Systems, 318, Association for Computing Machinery, New York, 2021. [PUMA: sent fis]

Melanie Heck, Janick Edinger, Jonathan Bünemann, and Christian Becker. The Subconscious Director : Dynamically Personalizing Videos Using Gaze Data. IUI '21 : 26th International Conference on Intelligent User Interfaces, 98-108, Association for Computing Machinery, New York, 2021. [PUMA: sent fis]

Hasan Eshghinezhad, Nader Shariatmadari, and Behnam Askari Lasaki. Influence of Adding Tire Chips on the Mechanical Behavior of Calcareous Sands. Geotechnical and geological engineering, (39)3:2147-2160, Springer, 2021. [PUMA: ubs_20002 ubs_10002 sent ubs_30026 ubs_40034 fis]

S. Pfeiffer, A. Kappler, S. B. Haderlein, C. Schmidt, J. M. Byrne, Sara Kleindienst, C. Vogt, H. H. Richnow, M. Obst, L. T. Angenent, C. Bryce, C. McCammon, and B. Planer-Freidrich. A biogeochemical–hydrological framework for the role of redox-active compounds in aquatic systems. Nature geoscience, (14):264-272, Springer, 2021. [PUMA: ubs_20002 ubs_10002 liste ubs_30026 fis]

Tizian Wenzel, Gabriele Santin, and Bernard Haasdonk. A novel class of stabilized greedy kernel approximation algorithms: convergence, stability and uniform point distribution. J. Approx. Theory, (262):Paper No. 105508, 30, 2021. [PUMA: imported PN6 from:britsteiner ians fis exc2075] URL

Bernard Haasdonk, Mario Ohlberger, and Felix Schindler. An adaptive model hierarchy for data-augmented training of kernel models for reactive flow. arXiv, 2021. [PUMA: unibibliografie pn6 pn5 ians fis exc2075] URL

Raphael Leiteritz, Patrick Buchfink, Bernard Haasdonk, and Dirk Pflüger. Surrogate-data-enriched Physics-Aware Neural Networks. 2021. [PUMA: unibibliografie pn6 pn5 prePrint ians fis exc2075]

Dominik Wittwar, and Bernard Haasdonk. Convergence rates for matrix P-greedy variants. Numerical mathematics and advanced applications---ENUMATH 2019, (139):1195--1203, Springer, Cham, 2021. [PUMA: unibibliografie from:britsteiner ians fis] URL

Yu-Ming Huang, Daniel Straub, Nia Blackwell, Andreas Kappler, and Sara Kleindienst. Meta-omics Reveal Gallionellaceae and Rhodanobacter Species as Interdependent Key Players for Fe(II) Oxidation and Nitrate Reduction in the Autotrophic Enrichment Culture KS. Applied and environmental microbiology, (87)15:e00496-21, American Society for Microbiology, 2021. [PUMA: ubs_20002 ubs_10002 liste ubs_30026 fis]

Marie Davidova, and Kateřina Zímová. COLreg : The Tokenised Cross-Species Multicentred Regenerative Region Co-Creation. Sustainability, (13)12:6638, MDPI, 2021. [PUMA: oa sent ubs_20016 ubs_40343 ubs_10011 ubs_30150 fis]

Martyna Glodowska, Emiliano Stopelli, Daniel Straub, Duyen Vu Thi, OPham T.K. Trang, Pham H. Viet, AdvectAs team members, Michael Berg, Andreas Kappler, and Sara Kleindienst. Arsenic behavior in groundwater in Hanoi (Vietnam) influenced by a complex biogeochemical network of iron, methane, and sulfur cycling. Journal of hazardous materials, (407):124398, Elsevier, 2021. [PUMA: ubs_20002 ubs_10002 liste ubs_30026 fis]

Michele Nottoli, Mattia Bondanza, Filippo Lipparini, and Benedetta Mennucci. An enhanced sampling QM/AMOEBA approach : The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone. The journal of chemical physics, (154)18:184107, American Institute of Physics, 2021. [PUMA: sent fis]

Michele Nottoli, Lorenzo Cupellini, Filippo Lipparini, Giovanni Granucci, and Benedetta Mennucci. Multiscale Models for Light-Driven Processes. Annual review of physical chemistry, (72)1:489-513, Annual Reviews, 2021. [PUMA: sent fis]

Michele Nottoli, Riccardo Nifosì, Benedetta Mennucci, and Filippo Lipparini. Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation. Journal of chemical theory and computation, (17)9:5661-5672, American Chemical Society, 2021. [PUMA: sent fis]

Lambert Theisen, and Manuel Torrilhon. fenicsR13 : A Tensorial Mixed Finite Element Solver for the Linear R13 Equations Using the FEniCS Computing Platform. ACM transactions on mathematical software, (47)2:17, Association for Computing Machinery, 2021. [PUMA: sent fis]