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37487 Publications


2022 | Journal Article | LibreCat-ID: 39400
About the structure of the discrete and continuous Eringen’s nonlocal elastica
J. Cresson, K. Hariz Belgacem, Mathematics and Mechanics of Solids (2022).
LibreCat | DOI
 

2022 | Preprint | LibreCat-ID: 32404
CP2K on the road to exascale
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
LibreCat | Download (ext.) | arXiv
 

2022 | Journal Article | LibreCat-ID: 33226 | OA
Parallel quantum chemistry on noisy intermediate-scale quantum computers
R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, T. Kühne, Phys. Rev. Research 4 (2022) 033160.
LibreCat | DOI | Download (ext.)
 

2022 | Preprint | LibreCat-ID: 46275
Roadmap on Electronic Structure Codes in the Exascale Era
V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky, S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi, M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott, T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl, L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P. Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D. Perez, ArXiv:2209.12747 (2022).
LibreCat | arXiv
 

2022 | Journal Article | LibreCat-ID: 33684 | OA
Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).
LibreCat | DOI | Download (ext.)
 

2022 | Conference Abstract | LibreCat-ID: 46282 | OA
Effects of verbal negation on TVA’s capacity and weight parameters
N.C. Banh, I. Scharlau, in: S. Malejka, M. Barth, H. Haider, C. Stahl (Eds.), TeaP 2022 - Abstracts of the 64th Conference of Experimental Psychologists , Pabst Science Publishers, 2022.
LibreCat | DOI | Download (ext.)
 

2022 | Conference Abstract | LibreCat-ID: 46289 | OA
Folgen wiederholter Negation auf die Aufmerksamkeit
N.C. Banh, I. Scharlau, K.J. Rohlfing, in: C. Bermeitinger, W. Greve (Eds.), 52. Kongress Der Deutschen Gesellschaft Für Psychologie, 2022.
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2022 | Conference Abstract | LibreCat-ID: 46285
Gesundes Misstrauen gegenüber Erklärungen
T.M. Peters, I. Scharlau, in: C. Bermeitinger, W. Greve (Eds.), 52. Kongress Der Deutschen Gesellschaft Für Psychologie, Pabst Science Publisher, 2022.
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2022 | Journal Article | LibreCat-ID: 46293 LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 19941 | OA
Backward error analysis for variational discretisations of partial differential equations
R.I. McLachlan, C. Offen, Journal of Geometric Mechanics 14 (2022) 447–471.
LibreCat | Files available | DOI | arXiv
 

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