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pro vyhledávání: '"Pios A"'
The development of X-ray free-electron lasers (XFELs) has enabled ultrafast X-ray diffraction (XRD) experiments, which are capable of resolving electronic/vibrational transitions and structural changes in molecules, or capturing molecular movies. Whi
Externí odkaz:
http://arxiv.org/abs/2408.15494
Two-dimensional (2D) fluorescence-excitation (2D-FLEX) spectroscopy is a recently proposed nonlinear femtosecond technique for the detection of photoinduced dynamics. The method records a time-resolved fluorescence signal in its excitation- and detec
Externí odkaz:
http://arxiv.org/abs/2406.15262
Autor:
Zhang, Lina, Pios, Sebastian V., Martyka, Mikołaj, Ge, Fuchun, Hou, Yi-Fan, Chen, Yuxinxin, Chen, Lipeng, Jankowska, Joanna, Barbatti, Mario, Dral, Pavlo O.
We present an open-source MLatom@XACS software ecosystem for on-the-fly surface hopping nonadiabatic dynamics based on the Landau-Zener-Belyaev-Lebedev (LZBL) algorithm. The dynamics can be performed via Python API with a wide range of quantum mechan
Externí odkaz:
http://arxiv.org/abs/2404.06189
In recent years, machine learning (ML) surrogate models have emerged as an indispensable tool to accelerate simulations of physical and chemical processes. However, there is still a lack of ML models that can accurately predict molecular vibrational
Externí odkaz:
http://arxiv.org/abs/2402.06911
Akademický článek
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Autor:
Jeremias Convocar, Myrna Pios
Publikováno v:
JPAIR, Vol 36, Iss 1, Pp 58-75 (2019)
Creating a safe and supportive learning environment for all students regardless of their sexual orientations is especially important. This descriptive study determined the extent of sexual orientations, level of self-esteem and problems of 664 random
Externí odkaz:
https://doaj.org/article/e29952ddc1c24ecc8cfd77fb11d930ef
Autor:
Sebastian Pios, Wolfgang Domcke
Publikováno v:
The Journal of Physical Chemistry A. 127:3372-3380
Autor:
Vidal, Bastien, Romano, Rosa, Catton, Eniola, Park, Hangil, Padaki, Varsha, Kothakota, Srinivas, Hernandez, Moises, Rajendiran, Smrithi, Li, Grant, Pios, Ariel, Boyle, Kathleen
Publikováno v:
In Molecular Genetics and Metabolism February 2024 141(2)
Autor:
Elliott, Eileen, Romano, Rosa, Arenas, Johnny, Ahene, Ago, Casanova, Inosencio, Chang, Robert, Bengford, David, Hernandez, Moises, Li, Grant, Pios, Ariel, Rajendiran, Smrithi, Somebang, Kerri, Zepecki-France, Kolton, Brennan, Thomas, Boyle, Kathleen, Rakestraw, James A.
Publikováno v:
In Molecular Genetics and Metabolism February 2024 141(2)
Publikováno v:
Annals of Psychology / Roczniki Psychologiczne; 2024, Vol. 27 Issue 1, p27-48, 22p