Zobrazeno 1 - 10
of 1 204
pro vyhledávání: '"Cangi, A."'
Autor:
Shah, Karan, Cangi, Attila
Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under various external perturbations such as laser fields. In this work, we present a novel approach to accelerate real time TDDFT based electro
Externí odkaz:
http://arxiv.org/abs/2407.09628
Autor:
Gawne, Thomas, Bellenbaum, Hannah, Fletcher, Luke B., Appel, Karen, Baehtz, Carsten, Bouffetier, Victorien, Brambrink, Erik, Brown, Danielle, Cangi, Attila, Descamps, Adrien, Göde, Sebastian, Hartley, Nicholas J., Herbert, Marie-Luise, Hesselbach, Philipp, Höppner, Hauke, Humphries, Oliver S., Konôpková, Zuzana, Garcia, Alejandro Laso, Lindqvist, Björn, Lütgert, Julian, MacDonald, Michael J., Makita, Mikako, Martin, Willow, Mishchenko, Mikhail, Moldabekov, Zhandos A., Nakatsutsumi, Motoaki, Naedler, Jean-Paul, Neumayer, Paul, Pelka, Alexander, Qu, Chongbing, Randolph, Lisa, Rips, Johannes, Toncian, Toma, Vorberger, Jan, Wollenweber, Lennart, Zastrau, Ulf, Kraus, Dominik, Preston, Thomas R., Dornheim, Tobias
Mosaic crystals, with their high integrated reflectivities, are widely-employed in spectrometers used to diagnose high energy density systems. X-ray Thomson scattering (XRTS) has emerged as a powerful diagnostic tool of these systems, providing in pr
Externí odkaz:
http://arxiv.org/abs/2406.03301
Autor:
Gawne, Thomas, Moldabekov, Zhandos A., Humphries, Oliver S., Appel, Karen, Bähtz, Carsten, Bouffetier, Victorien, Brambrink, Erik, Cangi, Attila, Göde, Sebastian, Konôpková, Zuzana, Makita, Mikako, Mishchenko, Mikhail, Nakatsutsumi, Motoaki, Ramakrishna, Kushal, Randolph, Lisa, Schwalbe, Sebastian, Vorberger, Jan, Wollenweber, Lennart, Zastrau, Ulf, Dornheim, Tobias, Preston, Thomas R.
Using a novel ultrahigh resolution ($\Delta E \sim 0.1\,$eV) setup to measure electronic features in x-ray Thomson scattering (XRTS) experiments at the European XFEL in Germany, we have studied the collective plasmon excitation in aluminium at ambien
Externí odkaz:
http://arxiv.org/abs/2403.02776
Electronic structure theory calculations offer an understanding of matter at the quantum level, complementing experimental studies in materials science and chemistry. One of the most widely used methods, density functional theory (DFT), maps a set of
Externí odkaz:
http://arxiv.org/abs/2312.15301
Autor:
Nikolov, Svetoslav, Ramakrishna, Kushal, Rohskopf, Andrew, Lokamani, Mani, Tranchida, Julien, Carpenter, John, Cangi, Attila, Wood, Mitchell A.
Dynamic compression of iron to Earth-core conditions is one of the few ways to gather important elastic and transport properties needed to uncover key mechanisms surrounding the geodynamo effect. Herein a new machine-learned ab-initio derived molecul
Externí odkaz:
http://arxiv.org/abs/2311.08737
We created a computational workflow to analyze the potential energy surface (PES) of materials using machine-learned interatomic potentials in conjunction with the minima hopping algorithm. We demonstrate this method by producing a versatile machine-
Externí odkaz:
http://arxiv.org/abs/2311.06010
Autor:
Gregory, Bethan S., Chaffin, Michael S., Elliott, Rodney D., Deighan, Justin, Gröller, Hannes, Cangi, Eryn M.
Publikováno v:
Journal of Geophysical Research: Planets, 128(8), p.e2023JE007802 (2023)
Hydrogen loss to space is a key control on the evolution of the Martian atmosphere and the desiccation of the red planet. Thermal escape is thought to be the dominant loss process, but both forward modeling studies and remote sensing observations hav
Externí odkaz:
http://arxiv.org/abs/2308.13105
Autor:
B, Sruthil Lal S., Lokamani, Ramakrishna, Kushal, Cangi, Attila, Murali, D, Posselt, Matthias, Devi, Assa Aravindh Sasikala, Sharan, Alok
Electron dynamics of anatase TiO$_2$ under the influence of ultrashort and intense laser field is studied using the real-time time-dependent density functional theory (TDDFT). Our findings demonstrate the effectiveness of TDDFT calculations in modeli
Externí odkaz:
http://arxiv.org/abs/2306.17554
Publikováno v:
Journal of Geophysical Research: Planets, 128, e2022JE007713 (2023)
Although deuterium (D) on Mars has received substantial attention, the deuterated ionosphere remains relatively unstudied. This means that we also know very little about non-thermal D escape from Mars, since it is primarily driven by excess energy im
Externí odkaz:
http://arxiv.org/abs/2306.16396
Publikováno v:
Phys. Rev. B 108, 125146 (2023)
We introduce machine learning (ML) models that predict the electronic structure of materials across a wide temperature range. Our models employ neural networks and are trained on density functional theory (DFT) data. Unlike most other ML models that
Externí odkaz:
http://arxiv.org/abs/2306.06032