Items where Year is 2018

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Banerjee, T. and Vercauteren, N. and Muste, M. and Yang, D. (2018) Coherent structures in wind shear induced wave-turbulence-vegetation interaction in water bodies. Agricultural and Forest Meteorology, 255 . pp. 57-67. ISSN 0168-1923

Banisch, R. and Trstanova, Z. and Bittracher, A. and Klus, S. and Koltai, P. (2018) Diffusion maps tailored to arbitrary non-degenerate Itô processes. Applied and Computational Harmonic Analysis . ISSN 1063-5203 (In Press)

Becker, N. and Névir, P. and Klein, R. (2018) Large-scale secondary circulations in a limited area model - the impact of lateral boundaries and resolution. Tellus A: Dynamic Meteorology and Oceanography, 70 (1).

Bennett, W.P. and Nikiforakis, N. and Klein, R. (2018) A Moving Boundary Flux Stabilization Method for Cartesian Cut-Cell Grids using Directional Operator Splitting. Journal of Computational Physics, 368 . pp. 333-358.

Bittracher, A. and Koltai, P. and Klus, S. and Banisch, R. and Dellnitz, M. and Schütte, Ch. (2018) Transition manifolds of complex metastable systems: Theory and data-driven computation of effective dynamics. Journal of Nonlinear Science, 28 (2). pp. 471-512. ISSN 1432-1467 (online)

Bittracher, Andreas and Banisch, Ralf and Schütte, Christof (2018) Data-driven computation of molecular reaction coordinates. J. Chem. Phys., 149 (154103).

Blömker, Dirk and Schillings, Claudia and Wacker, Philipp (2018) A strongly convergent numerical scheme from ensemble Kalman inversion. SIAM Journal on Numerical Analysis, 56 (4).

Busch, Anne and Thomas, Prasad and Zuchantke, Eric and Brendebach, Holger and Neubert, Kerstin and Gruetzke, Josephine and Al Dahouk, Sascha and Peters, Martin and Hotzel, Helmut and Neubauer, Heinrich and Tomaso, Herbert (2018) Revisiting Francisella tularensis subsp. holarctica, Causative Agent of Tularemia in Germany With Bioinformatics: New Insights in Genome Structure, DNA Methylation and Comparative Phylogenetic Analysis. Frontiers in Microbiology, 9 . ISSN 1664-302X

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Ciccotti, G. and Ferrario, M. and Schütte, Ch. (2018) Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere? Entropy (Special Issue), 20 (5). p. 348. ISSN 1099-4300

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Dadi, Temesgen Hailemariam and Siragusa, Enrico and Piro, Vitor C and Andrusch, Andreas and Seiler, Enrico and Renard, Bernhard Y and Reinert, Knut (2018) DREAM-Yara: an exact read mapper for very large databases with short update time. Bioinformatics, 34 (17). i766-i772. ISSN 1367-4803

Daldrop, J.O. and Kappler, J. and Brünig, F.N. and Netz, R.R. (2018) Butane dihedral angle dynamics in water is dominated by internal friction. PNAS, 20 (115). pp. 5169-5174. ISSN 1091-6490 (online)

Dibak, M. and del Razo, M.J. and De Sancho, D. and Schütte, Ch. and Noé, F. (2018) MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulations. Journal of Chemical Physics, 148 (214107). ISSN 0021-9606

Djurdjevac, A. and Elliott, C.M. and Kornhuber, R. and Ranner, Th. (2018) Evolving surface finite element methods for random advection-diffusion equations. SIAM/ASA Journal on Uncertainty Quantification, 6 (4). pp. 1656-1684. ISSN 2166-2525

Djurdjevac, N. and Fuerstenau, D. and Grabundzija, A. and Helfmann, L. and Park, M. and Schier, W. and Schütt, B. and Schütte, Ch. and Weber, M. and Wulkow, N. and Zonker, J. (2018) Mathematical Modeling of the Spreading of Innovations in the Ancient World. eTopoi. Journal for Ancient Studies, 7 . ISSN 2192-2608

Djurdjevac, N. and Helfmann, L. and Zonker, J. and Winkelmann, S. and Schütte, Ch. (2018) Human mobility and innovation spreading in ancient times: a stochastic agent-based simulation approach. EPJ Data Science, 7 (1). p. 24.

Donati, L. and Heida, M. and Weber, M. and Keller, B. (2018) Estimation of the infinitesimal generator by square-root approximation. Journal of Physics: Condensed Matter, 30 (42). p. 425201. ISSN 0953-8984, ESSN: 1361-648X

Donati, L. and Keller, B. (2018) Girsanov reweighting for metadynamics simulations. Journal of Chemical Physics, 149 (7). 072335. ISSN 0021-9606

Donati, Luca and Keller, Bettina G. (2018) Girsanov reweighting for metadynamics simulations. J. Chem. Phys. 149, 149 . pp. 1-16.

Duwal, S. and Dickinson, L. and Khoo, S. and von Kleist, M. (2018) Hybrid stochastic framework predicts efficacy of prophylaxis against HIV: An example with different dolutegravir regimen. PLoS Computational Biology, 14 . e1006155. ISSN 1553-7358

Döpking, S. and Plaisance, C.P. and Strobusch, D. and Reuter, K. and Scheurer, C. and Matera, S. (2018) Addressing Global Uncertainty and Sensitivity in First-Principles Based Microkinetic Models by an Adaptive Sparse Grid Approach. AIP The Journal of Chemical Physics, 148 (3).

del Razo, M.J. and Qian, H. and Noé, F. (2018) Grand canonical diffusion-influenced reactions: a stochastic theory with applications to multiscale reaction-diffusion simulations. J. Chem. Phys., 149 (4). 044102. ISSN 0021-9606, ESSN: 1089-7690

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Engwer, C. and Gräser, C. and Müthing, S. and Sander, O. (2018) Function space bases in the dune-functions module. arXiv:1806.09545 . pp. 1-53. (Submitted)

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Friedrich, B. and Herschbach, D. and Kais, S. and Schmidt, B. (2018) Molecules enhanced by electromagnetic fields. SciTech Europa Quarterly, 27 . pp. 48-49.

Fröhner, Chr. and Noé, F. (2018) Reversible interacting-particle reaction dynamics. J. Phys. Chem. B, 122 (49). pp. 11240-11250.

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Gerber, S. and Olsson, S. and Noé, F. and Horenko, I. (2018) A scalable approach to the computation of invariant measures for high-dimensional Markovian systems. Scientific Reports, 8 (1796). ISSN 2045-2322

Gokhale, N. and Nikiforakis, N. and Klein, R. (2018) A dimensionally split Cartesian cut cell method for hyperbolic conservation laws. Journal of Computational Physics, 364 . pp. 186-208. ISSN 0021-9991

Gokhale, N. and Nikiforakis, N. and Klein, R. (2018) A dimensionally split Cartesian cut cell method for the compressible Navier-Stokes equations. Journal of Computational Physics, 375 . pp. 1205-1219.

Grześkowiak, Łukasz and Martínez-Vallespín, Beatriz and Dadi, Temesgen H and Radloff, Judith and Amasheh, Salah and Heinsen, Femke-Anouska and Franke, Andre and Reinert, Knut and Vahjen, Wilfried and Zentek, Jürgen and Pieper, Robert (2018) Formula Feeding Predisposes Neonatal Piglets to Clostridium difficile Gut Infection. The Journal of Infectious Diseases, 217 (9). pp. 1442-1452. ISSN 0022-1899

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Hajian, Soheil and Hintermüller, Michael and Schillings, Claudia and Strogtes, Michael (2018) A Bayesian approach to parameter identification in gas networks. Preprint : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2537 .

Hartmann, C. and Schütte, Ch. and Weber, M. and Zhang, W. (2018) Importance sampling in path space for diffusion processes with slow-fast variables. Probab. Theory Rel. Fields, 170 (1-2). pp. 177-228. ISSN 0178-8051 (print) 1432-2064 (online)

Hassan, I. and Donati, L. and Stensitzki, T. and Keller, B. and Heyne, K. and Imhof, P. (2018) The Vibrational Spectrum of the hydrated Alanine-Leucine Peptide in the Amide region from IR experiments and First Principles Calculation. Chem. Phys. Lett. . pp. 1-26. ISSN 0009-2614

Heida, M. (2018) Convergences of the squareroot approximation scheme to the Fokker–Planck operator. Mathematical Models and Methods in Applied Sciences, 28 (13). pp. 2599-2635. ISSN 0218-2025, ESSN: 1793-6314

Heida, Martin and Röger, Matthias (2018) Large deviation principle for a stochastic Allen--Cahn equation. Journal of Theoretical Probability 31(1), 31 (1). pp. 1-18. (Submitted)

Heida, Martin and Schweizer, Ben (2018) Stochastic homogenization of plasticity equations. ESAIM: Control, Optimisation and Calculus of Variations, 24 (1). 153 -176.

Hiptmair, R. and Scarabosio, L. and Schillings, Claudia and Schwab, Ch. (2018) Large deformation shape uncertainty quantification in acoustic scattering. Advances in Computational Mathematics, 44 . pp. 1475-1518.

Hittmeir, S. and Klein, R. (2018) Asymptotics for moist deep convection I: Refined scalings and self-sustaining updrafts. Theoretical and Computational Fluid Dynamics, 32 (2). pp. 137-164. ISSN 0935-4964 (Print) 1432-2250 (Online)

Hoffmann, Waldemar and Folmert, Kristin and Moschner, Johann and Xing Huang, Xing Huang and von Berlepsch, Hans and Koksch, Beate and Bowers, Michael T. and von Helden, Gert and Pagel, Kevin (2018) NFGAIL Amyloid Oligomers: The Onset of Beta-Sheet Formation and the Mechanism for Fibril Formation. J. Am. Chem. Soc. 2018, 140, 244−249, 140 . pp. 244-249.

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Kappler, J. and Daldrop, J.O. and Brünig, F.N. and Boehle, M.D. and Netz, R.R. (2018) Memory-induced acceleration and slowdown of barrier crossing. J. Chem. Phys., 148 (1). 014903.

Kappler, J. and Noé, F. and Netz, R.R. (2018) Cyclization dynamics of finite-length collapsed self-avoiding polymers. SFB 1114 Preprint 02/2018 . (Unpublished)

Kebiri, O. and Neureither, L. and Hartmann, C. (2018) Singularly perturbed forward-backward stochastic differential equations: application to the optimal control of bilinear systems. Computation, 6 (3). p. 41. ISSN 2079-3197 (online)

Kianfar, Kiavash and Pockrandt, Christopher and Torkamandi, Bahman and Luo, Haochen and Reinert, Knut (2018) Optimum Search Schemes for Approximate String Matching Using Bidirectional FM-Index. bioRxiv, The Preprint Server for Biology .

Kienle, D. and Gräser, C. and Sander, O. and Keip, M.-A. (2018) Efficient and reliable phase‐field simulation of brittle fracture using a nonsmooth multigrid solution scheme. PAMM. Special Issue: 89th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM), 18 (1). e201800126. ISSN 1617-7061

Kies, Tobias (2018) Gradient Methods for Membrane-Mediated Particle Interactions. PhD Thesis . pp. 1-147.

Klus, S. and Gelß, P. and Peitz, S. and Schütte, Ch. (2018) Tensor-based dynamic mode decomposition. Nonlinearity, 31 (7). pp. 3359-3380. ISSN 0951-7715

Klus, S. and Nüske, F. and Koltai, P. and Wu, H. and Kevrekidis, I. and Schütte, Ch. and Noé, F. (2018) Data-driven model reduction and transfer operator approximation. Journal of Nonlinear Science, 28 (1). pp. 1-26.

Klus, S. and Sahai, T. (2018) A spectral assignment approach for the graph isomorphism problem. Information and Inference: a Journal of the IMA, 7 (4). pp. 689-706.

Klus, Stefan and Bittracher, Andreas and Schuster, Ingmar and Schütte, Christof (2018) A kernel-based approach to molecular conformation analysis. Journal of Chemical Physics, 149 (244109).

Koltai, P. and Renger, M. (2018) From Large Deviations to Semidistances of Transport and Mixing: Coherence Analysis for Finite Lagrangian Data. Journal of Nonlinear Science, 28 (5). pp. 1915-1957. ISSN 1432-1467 (online)

Koltai, P. and Schütte, Ch. (2018) A multiscale perturbation expansion approach for Markov state modeling of non-stationary molecular dynamics. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, 16 (4). pp. 1455-1485. ISSN 1540-3459

Koltai, P. and Wu, H. and Noé, F. and Schütte, Ch. (2018) Optimal data-driven estimation of generalized Markov state models for non-equilibrium dynamics. Computation, 6(1) (22). ISSN 2079-3197 (online)

Koreuber, M. and Mischau, A. (2018) Mathematik: Geschlechterforschung in disziplinären Zwischenräumen. In: Handbuch Interdisziplinäre Geschlechterforschung. Geschlecht und Gesellschaft. Springer Spektrum, pp. 719-728.

Kork, F. and Spies, C. and Conrad, T. O. F. and Weiss, B. and Roenneberg, T. and Wernecke, K.-D. and Balzer, F. (2018) Associations of postoperative mortality with the time of day, week and year. Anaesthesia, 73 (6). pp. 711-718. ISSN 0959-2962

Kornhuber, R. and Peterseim, D. and Yserentant, H. (2018) An analysis of a class of variational multiscale methods based on subspace decomposition. Mathematics of Computation, 87 (314). pp. 2765-2774. ISSN 1088-6842 (online)

Kornhuber, R. and Youett, E. (2018) Adaptive Multilevel Monte Carlo Methods for Stochastic Variational Inequalities. SIAM Journal on Numerical Analysis, 56 (4). pp. 1987-2007. ISSN 0036-1429

Krekeler, C. and Agarwal, A. and Junghans, C. and Praprotnik, M. and Delle Site, L. (2018) Adaptive Resolution Molecular Dynamics Technique: Down to the Essential. J. Chem. Phys., 149 . 024104. ISSN 0021-9606, ESSN: 1089-7690

Kuchenbecker, Sven-Leon (2018) Analysis of Antigen Receptor Repertoires Captured by High Throughput Sequencing. PhD thesis, Freie Universität Berlin.

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Langfeldt, B. and Mischau, A. (2018) Change and Persistence of Gender Disparities in Academic Careers of Mathematicians and Physicists in Germany. International Journal of Gender, Science and Technology, 10 (1). ISSN 2040-0748

Lazzaroni, Guiliano and Rossi, Riccarda and Thomas, Marita and Toader, Rodica (2018) Rate-independent damage in thermoviscoelastic materials with inertia. J Dyn Diff Equat, 30 . pp. 1311-1364.

Li, Q. and Bou-Zeid, E. and Vercauteren, N. and Parlange, M. B. (2018) Signatures of air-waves interactions over a large lake. Boundary-Layer Meteorology . pp. 1-24. ISSN 0006-8314

Liero, M. and Mielke, A. and Savaré, G. (2018) Optimal Entropy-Transport problems and a new Hellinger-Kantorovich distance between positive measures. Inventiones mathematicae, 211 . pp. 969-1117. ISSN 1432-1297 (online)

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Ma, X. and Conrad, T. O. F. and Alchikh, M. and Reiche, J. and Schweiger, B. and Rath, B. (2018) Can we distinguish respiratory viral infections based on clinical features? A prospective pediatric cohort compared to systematic literature review. Reviews in Medical Virology, 28 (5). ISSN 1099-1654

Marchenko, A. and Gagliardini, P. and Horenko, I. (2018) Toward a computationally-tractable maximum entropy principle for non-stationary financial time series. SIAM Journal of Financial Mathematics, 9 (4). pp. 1249-1285. ISSN 1945-497X

Mardt, A. and Pasquali, L. and Wu, H. and Noé, F. (2018) VAMPnets: Deep learning of molecular kinetics. Nat. Comm., 9 . p. 5.

Marschall, T. and Reinert, K. and others, (59 authors in total) (2018) Computational pan-genomics: status, promises and challenges. Briefings in Bioinformatics, 19 (1). pp. 118-135. ISSN 1467-5463 (Print), 1477-4054 (Online)

Martinek, T. and Duboué-Dijon, E. and Timr, S. and Mason, Ph. E. and Baxová, K. and Fischer, H. E. and Schmidt, B. and Pluharova, E. and Jungwirth, P. (2018) Calcium Ions in Aqueous Solutions: Accurate Force Field Description Aided by Ab Initio Molecular Dynamics and Neutron Scattering. J. Chem. Phys., 148 (22). p. 222813.

Marzban, Forough and Conrad, T. O. F. and Marzban, Pouria and Sodoudi, Sahar (2018) Estimation of the Near-Surface Air Temperature during the Day and Nighttime from MODIS in Berlin, Germany. International Journal of Advanced Remote Sensing and GIS, 7 (1). ISSN 2320-0243

Mielke, A. and Mittnenzweig, M. (2018) Convergence to Equilibrium in Energy-Reaction–Diffusion Systems Using Vector-Valued Functional Inequalities. Journal of Nonlinear Science . pp. 1-42. ISSN 1432-1467 (online)

Mielke, A. and Rossi, R. and Savaré, G. (2018) Global existence results for viscoplasticity at finite strain. Archive for Rational Mechanics and Analysis, 227 (1). pp. 423-475. ISSN Print: 0003-9527; Online: 1432-0673

Mielke, Alexander and Mittnenzweig, Markus (2018) Convergence to Equilibrium in Energy-Reaction–Diffusion Systems Using Vector-Valued Functional Inequalities. Journal of Nonlinear Science, 28 . pp. 765-806. ISSN 1432-1467 (online)

Mirahmadi, M. and Schmidt, B. and Karra, M. and Friedrich, B. (2018) Dynamics of polar polarizable rotors acted upon by unipolar electromagnetic pulses: From the sudden to the adiabatic regime. J. Chem. Phys., 149 (17). p. 174109.

Mireles, Victor and Conrad, T. O. F. (2018) Reusable building blocks in biological systems. Journal of the Royal Society Interface, 15 (149). ISSN 1742-5662

Mischau, A. and Eilerts, K. (2018) Modellieren im Mathematikunterricht gendersensibel gestalten. In: Neue Materialien für einen realitätsbezogenen Mathematikunterricht 5. Springer Spektrum, pp. 125-142. ISBN 978-3-658-21041-0 (Print) 978-3-658-21042-7 (Online)

Müller, A. and Névir, P. and Klein, R. (2018) Scale Dependent Analytical Investigation of the Dynamic State Index Concerning the Quasi-Geostrophic Theory. Mathematics of Climate and Weather Forecasting, 4 (1). pp. 1-22. ISSN 2353-6438 (online)

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Nadolski, M. and Rezay Haghdoost, M. and Gray, J.A.T. and Edgington-Mitchell, D. and Oberleithner, K. and Klein, R. (2018) Validation of numerical simulations by the exhaust flow of a PDC based high speed schlieren. In: Notes on Numerical Fluid Mechanics and Multidisciplinary Design Active Flow and Combustion Control 2018. Notes on Numerical Fluid Mechanics and Multidisciplinary Design book series (NNFM, 141 . Springer International Publishing, pp. 237-253. ISBN 978-3-319-98176-5

Netz, Roland R. (2018) Fluctuation-dissipation relation and stationary distribution of an exactly solvable many-particle model for active biomatter far from equilibrium. J. Chem. Phys., 148 . ISSN 0021-9606, ESSN: 1089-7690

Nguyen van yen, N. and Waidmann, M. and Klein, R. and Farge, M. (2018) Energy dissipation caused by boundary layer instability at vanishing viscosity. Journal of Fluid Mechanics, 849 . pp. 676-717.

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Paul, F. and Noé, F. and Weikl, T. (2018) Identifying Conformational-Selection and Induced-Fit Aspects in the Binding-Induced Folding of PMI from Markov State Modeling of Atomistic Simulations. J. Phys. Chem. B .

Piro, Vitor C (2018) Reference and taxonomy based methods for classification and abundance estimation of organisms in metagenomic samples. PhD thesis, Freie Universität Berlin.

Pospisil, L. and Gagliardini, P. and Sawyer, W. and Horenko, I. (2018) On a scalable nonparametric denoising of time series signals. Communications in Applied Mathematics and Computational Science, 13 (1). pp. 107-138.

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Rahn, René and Budach, Stefan and Costanza, Pascal and Ehrhardt, Marcel and Hancox, Jonny and Reinert, Knut (2018) Generic accelerated sequence alignment in SeqAn using vectorization and multi-threading. Bioinformatics, 34 (20). pp. 3437-3445. ISSN 1367-4803

Ransiek, A. and Rosenthal, G. and Völter, B. (2018) Discourse analysis. In: Interpretative Social Research. University Press, Göttingen, pp. 205-214.

Renger, M. (2018) Flux large deviations of independent and reacting particle systems, with implications for macroscopic fluctuation theory. J. Stat. Phys., 172 (5). pp. 1261-1326. ISSN 0022-4715

Renger, M. (2018) Gradient and Generic systems in the space of fluxes, applied to reacting particle systems. SFB 1114 Preprint in arXiv:1806.10461 . pp. 1-29. (Unpublished)

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Sadeghi, M. and Weikl, T. and Noé, F. (2018) Particle-based membrane model for mesoscopic simulation of cellular dynamics. J. Chem. Phys., 148 (4). 044901.

Schatz, K. and Friedrich, B. and Becker, S. and Schmidt, B. (2018) Symmetric Tops Subject to Combined Electric Fields: Conditional Quasi-Solvability via the Quantum Hamilton-Jacobi Theory. Phys. Rev. A, 97 (5). 053417.

Scherer, M. K. and Husic, B.E. and Hoffmann, M. and Paul, F. and Wu, H. and Noé, F. (2018) Variational Selection of Features for Molecular Kinetics. SFB 1114 Preprint in arXiv:1811.11714 . pp. 1-12. (Unpublished)

Schmidt, B. and Hartmann, C. (2018) WavePacket: A Matlab package for numerical quantum dynamics. II: Open quantum systems, optimal control, and model reduction. Comp. Phys. Comm., 228 . pp. 229-244.

Schulz, R. and Hansen, Y. von and Daldrop, J.O. and Kappler, J. and Noé, F. and Netz, R.R. (2018) Markov state modeling reveals competing collective hydrogen bond rearrangements in liquid water. SFB 1114 Preprint 02/2018 . (Unpublished)

Schulz, R. and von Hansen, Y. and Daldrop, J.O. and Kappler, J. and Noé, F. and Netz, R.R. (2018) Collective hydrogen-bond rearrangement dynamics in liquid water. J. Chem. Phys., 149 (24). -244504. ISSN 0021-9606, ESSN: 1089-7690

Schäpel, J.S. and King, R. and Yücel, F. and Völzke, F. and Paschereit, O. C. and Klein, R. (2018) Fuel injection control for a valve array in a Shockless Explosion Combustor. In: ASME Turbo Expo 2018: Turbomachinery Technical Conference and Exposition, June 11–15, 2018, Oslo, Norway.

Shadrack Jabes, B. and Delle Site, L. (2018) Nanoscale domains in Ionic Liquids: A statistical mechanics definition for molecular dynamics studies. J. Chem. Phys., 149 (18). p. 184502. ISSN 0021-9606, ESSN: 1089-7690

Shadrack Jabes, B. and Klein, R. and Delle Site, L. (2018) Structural Locality and Early Stage of Aggregation of Micelles in Water: An Adaptive Resolution Molecular Dynamics Study. Advanced Theory & Simulations, 1 (6).

Shadrack Jabes, B. and Krekeler, C. and Klein, R. and Delle Site, L. (2018) Probing Spatial Locality in Ionic Liquids with the Grand Canonical Adaptive Resolution Molecular Dynamics Technique. The Journal of Chemical Physics, 148 (19). ISSN online: 1089-7690

Smyth, R.P. and Smith, M. R. and Jousset, A-C. and Despons, L. and Laumond, G. and Decoville, T. and Cattenoz, P. and Moog, C. and Jossinet, F. and Mougel, M. and Paillart, J.-C. and von Kleist, M. and Marquet, R. (2018) In cell mutational interference mapping experiment (in cell MIME) identifies the 5' polyadenylation signal as a dual regulator of HIV - 1 genomic RNA production and packaging. Nucleic Acids Research, 46 (9). e57.

Stensitzki, T. and Yang, Y. and Kozich, V. and Ahmed, A.A. and Kössl, F. and Kühn, O. and Heyne, K. (2018) Acceleration of a ground-state reaction by selective femtosecond-infrared-laser-pulse excitation. Nature Chemistry, 10 . pp. 126-131.

Sutton, J.E. and Lorenzi, J. M. and Krogel, J.T. and Xiong, Q. and Pannala, S. and Matera, S. and Savara, A. (2018) Electrons to Reactors Multiscale Modeling: Catalytic CO Oxidation over RuO2. ACS Catalysis, 8 (6). pp. 5002-5016.

Swenson, D.W.H. and Prinz, J.-H. and Noé, F. and Chodera, J. D. and Bolhuis, P.G. (2018) OpenPathSampling: A Python Framework for Path Sampling Simulations. 1. Basics. Journal of Chemical Theory and Computation, Article ASAP . ISSN 1549-9618, ESSN: 15-49-9626

Swenson, D.W.H. and Prinz, J.-H. and Noé, F. and Chodera, J. D. and Bolhuis, P.G. (2018) OpenPathSampling: A Python Framework for Path Sampling Simulations. 2. Building and Customizing Path Ensembles and Sample Schemes. Journal of Chemical Theory and Computation, Article ASAP . ISSN 1549-9618, ESSN: 15-49-9626

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Tornow, G. and Klein, R. (2018) A 1D Multi-Tube Code for the Shockless Explosion Combustion. In: Notes on Numerical Fluid Mechanics and Multidisciplinary Design, Active Flow and Combustion Control 2018. Springer International Publishing, pp. 321-335. ISBN ISBN 978-3-319-98177-2

Trappe, Kathrin (2018) Computational Methods for Integrative Structural Variant Analysis Across Species Boundaries. PhD thesis, Freie Universität Berlin.

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Vater, S. and Klein, R. (2018) A Semi-Implicit Multiscale Scheme for Shallow Water Flows at Low Froude Number. Communications in Applied Mathematics & Computational Science, 13 (2). pp. 303-336. ISSN 1559-3940

von Kleist, M. and Schütte, Ch. and Zhang, W. (2018) Statistical Analysis of the First Passage Path Ensemble of Jump Processes. Journal of Statistical Physics, 170 (4). pp. 809-843.

von Larcher, T. and Viazzo, S. and Harlander, U. and Vincze, M. and Randriamampianina, A. (2018) Instabilities and small-scale waves within the Stewartson layers of a thermally driven rotating annulus. Journal of Fluid Mechanics, 841 . pp. 380-407. ISSN 0022-1120

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Weber, M. (2018) Implications of PCCA+ in Molecular Simulation. Computation, 6 (1). ISSN 2079-3197 (online)

Wehmeyer, C. and Noé, F. (2018) Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics. The Journal of Chemical Physics, 148 (24). p. 241703. ISSN 0021-9606

Wehmeyer, C. and Scherer, M. K. and Hempel, T. and Husic, B.E. and Olsson, S. and Noé, F. (2018) Introduction to Markov state modeling with the PyEMMA software — v1.0. LiveCoMS, 1 (1). pp. 1-12. ISSN E-ISSN: 2575-6524

Wilhelm, J. and Akylas, T.R. and Bölöni, G. and Wei, J. and Ribstein, B. and Klein, R. and Achatz, U. (2018) The Interaction between Meso- and Sub-mesoscale Gravity Waves. Journal of the Atmospheric Sciences, 75 (7). pp. 2257-2280. ISSN 0022-4928

Wilhem, J. and Akylas, T.R. and Bölöni, G. and Wei, J. and Ribstein, B. and Klein, R. and Achatz, U. (2018) Interactions between Meso- and Sub-Mesoscale Gravity Waves and their Efficient Representation in Mesoscale-Resolving Models. J. Atmos. Sci. . (Unpublished)

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Zander, L. and Tornow, G. and Klein, R. and Djordjevic, N. (2018) Knock Control in Shockless Explosion Combustion by Extension of Excitation Time. In: Active Flow and Combustion Control 2018. Springer International Publishing. ISBN 978-3-319-98176-5

Zhang, W. and Hartmann, C. and von Kleist, M. (2018) Optimal control of Markov jump processes: Asymptotic analysis, algorithms, and application to modelling of chemical reaction systems. Communications in Mathematical Sciences, 16 (2). pp. 293-331. ISSN 1539-6746