Zobrazeno 1 - 10
of 474
pro vyhledávání: '"Heenen, P H."'
Autor:
Batatia, Ilyes, Benner, Philipp, Chiang, Yuan, Elena, Alin M., Kovács, Dávid P., Riebesell, Janosh, Advincula, Xavier R., Asta, Mark, Avaylon, Matthew, Baldwin, William J., Berger, Fabian, Bernstein, Noam, Bhowmik, Arghya, Blau, Samuel M., Cărare, Vlad, Darby, James P., De, Sandip, Della Pia, Flaviano, Deringer, Volker L., Elijošius, Rokas, El-Machachi, Zakariya, Falcioni, Fabio, Fako, Edvin, Ferrari, Andrea C., Genreith-Schriever, Annalena, George, Janine, Goodall, Rhys E. A., Grey, Clare P., Grigorev, Petr, Han, Shuang, Handley, Will, Heenen, Hendrik H., Hermansson, Kersti, Holm, Christian, Jaafar, Jad, Hofmann, Stephan, Jakob, Konstantin S., Jung, Hyunwook, Kapil, Venkat, Kaplan, Aaron D., Karimitari, Nima, Kermode, James R., Kroupa, Namu, Kullgren, Jolla, Kuner, Matthew C., Kuryla, Domantas, Liepuoniute, Guoda, Margraf, Johannes T., Magdău, Ioan-Bogdan, Michaelides, Angelos, Moore, J. Harry, Naik, Aakash A., Niblett, Samuel P., Norwood, Sam Walton, O'Neill, Niamh, Ortner, Christoph, Persson, Kristin A., Reuter, Karsten, Rosen, Andrew S., Schaaf, Lars L., Schran, Christoph, Shi, Benjamin X., Sivonxay, Eric, Stenczel, Tamás K., Svahn, Viktor, Sutton, Christopher, Swinburne, Thomas D., Tilly, Jules, van der Oord, Cas, Varga-Umbrich, Eszter, Vegge, Tejs, Vondrák, Martin, Wang, Yangshuai, Witt, William C., Zills, Fabian, Csányi, Gábor
Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and hum
Externí odkaz:
http://arxiv.org/abs/2401.00096
Autor:
Gelžinytė, Elena, Wengert, Simon, Stenczel, Tamás K., Heenen, Hendrik H., Reuter, Karsten, Csányi, Gábor, Bernstein, Noam
Predictive atomistic simulations are increasingly employed for data intensive high throughput studies that take advantage of constantly growing computational resources. To handle the sheer number of individual calculations that are needed in such stu
Externí odkaz:
http://arxiv.org/abs/2306.11421
Autor:
Rein, Valentina, Gao, Hao, Heenen, Hendrik H., Sghaier, Wissal, Manikas, Anastasios C., Saedi, Mehdi, Margraf, Johannes T., Galiotis, Costas, Renaud, Gilles, Konovalov, Oleg V., Groot, Irene M. N., Reuter, Karsten, Jankowski, Maciej
Publikováno v:
ACS Nano 2024
In recent years, liquid metal catalysts have emerged as a compelling choice for the controllable, large-scale, and high-quality synthesis of two-dimensional materials. At present, there is little mechanistic understanding of the intricate catalytic p
Externí odkaz:
http://arxiv.org/abs/2305.18331
Autor:
Tiwari, Aarti, Govindarajan, Nitish, Heenen, Hendrik H., Bjørnlund, Anton, Chan, Karen, Horch, Sebastian
Understanding CO electro-oxidation is crucial towards designing catalysts for electrochemically oxidizing complex organic molecules. Earth-abundant Copper (Cu) has recently been demonstrated to exhibit high alkaline CO electro-oxidation activity, riv
Externí odkaz:
http://arxiv.org/abs/2109.15269
Autor:
Tiwari, Aarti, Heenen, Hendrik H., Bjørnlund, Anton Simon, Hochfilzer, Degenhart, Chan, Karen, Horch, Sebastian
We perform a joint experimental-theoretical study of the electrochemical oxidation of CO on copper (Cu) under alkaline conditions. Using cyclic voltammetry on Cu single crystal surfaces, we demonstrate that both Cu terraces and steps show CO oxidatio
Externí odkaz:
http://arxiv.org/abs/2008.02675
Autor:
Sels, S., Goodacre, T. Day, Marsh, B. A., Pastore, A., Ryssens, W., Tsunoda, Y., Althubiti, N., Andel, B., Andreyev, A. N., Atanasov, D., Barzakh, A. E., Bender, M., Billowes, J., Blaum, K., Cocolios, T. E., Cubiss, J. G., Dobaczewski, J., Farooq-Smith, G. J., Fedorov, D. V., Fedosseev, V. N., Flanagan, K. T., Gaffney, L. P., Ghys, L., Heenen, P-H., Huyse, M., Kreim, S., Lunney, D., Lynch, K. M., Manea, V., Palenzuela, Y. Martinez, Medonca, T. M., Molkanov, P. L., Otsuka, T., Ramos, J. P., Rossel, R. E., Rothe, S., Schweikhard, L., Seliverstov, M. D., Spagnoletti, P., Van Beveren, C., Van Duppen, P., Veinhard, M., Verstraelen, E., Welker, A., Wendt, K., Wienholtz, F., Wolf, R. N., Zadvornaya, A.
Neutron-deficient $^{177-185}$Hg isotopes were studied using in-source laser resonance-ionization spectroscopy at the CERN-ISOLDE radioactive ion-beam facility, in an experiment combining different detection methods tailored to the studied isotopes.
Externí odkaz:
http://arxiv.org/abs/1902.11211
Publikováno v:
Eur. Phys. J. A (2019) 55: 93
Large-scale applications of energy density functional (EDF) methods depend on fast and reliable algorithms to solve the associated non-linear self-consistency problem. When dealing with large single-particle variational spaces, existing solvers can b
Externí odkaz:
http://arxiv.org/abs/1812.08262
Akademický článek
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Publikováno v:
Phys. Rev. C 99, 044315 (2019)
In the framework of nuclear energy density functional (EDF) methods, many nuclear phenomena are related to the deformation of intrinsic states. Their accurate modeling relies on the correct description of the change of nuclear binding energy with def
Externí odkaz:
http://arxiv.org/abs/1809.04406
In the light of recent experimental developments, increasing attention is devoted to nuclear phenomena related to rotational excitations of exotic intrinsic nuclear configurations that often lack symmetries present in the majority of nuclei. Examples
Externí odkaz:
http://arxiv.org/abs/1611.01300