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Guaranteed a posteriori bounds for eigenvalues and eigenvectors: Multiplicities and clusters2020 Mathematics of Computation article Engineering Advanced Numerical Methods in Computational Mathematics Open access
Éric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralı́k
23citations -
Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation2020 Journal of Chemical Theory and Computation article Chemistry Diffusion Coefficients in Liquids Open access
Seyed Hossein Jamali, André Bardow, Thijs J. H. Vlugt, Othonas A. Moultos
70citations -
Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators2020 IMA Journal of Numerical Analysis article Physics and Astronomy Advanced Chemical Physics Studies Open access
Éric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralı́k
7citations -
Calculating response functions of coupled oscillators using quantum phase estimation2025 Physical Review Research article Computer Science Quantum Computing Algorithms and Architecture Open access
Sven Danz, Mario Berta, Stefan Schröder, Pascal Kienast, Frank K. Wilhelm, Alessandro Ciani
3citations -
Ten numbers from the Laplace–Beltrami spectrum facilitate training-free classification of protein structures based on surface shape2026 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Miriam Fernandez-Giro, Jessica Emonts, Benjamin Berkels, Johannes F. Buyel
0citations