Zobrazeno 1 - 10
of 1 707
pro vyhledávání: '"Gélin, P"'
Graphitic carbon nitride ($g$-CN) has attracted vast interest as a promising inexpensive metal-free photocatalyst for water splitting with solar photons. The heptazine (Hz) molecule is the building block of graphitic carbon nitride. The photochemistr
Externí odkaz:
http://arxiv.org/abs/2412.00400
Autor:
Zhang, Lei, Kloppenburg, Jan, Lin, Chia-Yi, Mitrovic, Luka, Gelin, Simon, Dabo, Ismaila, Schlom, Darrell G., Suntivich, Jin, Hautier, Geoffroy
Understanding the dehydrogenation of transition metal oxide surfaces under electrochemical potential is critical to the control of important chemical processes such as the oxygen evolution reaction (OER). Using first principles computations, we model
Externí odkaz:
http://arxiv.org/abs/2410.18421
We examine the applicability of the numerically accurate method of time dependent variation with multiple Davydov Ansatze (mDA) to non-Hermitian systems. Three systems of interest includes: a non-Hermitian system of dissipative Landau-Zener transitio
Externí odkaz:
http://arxiv.org/abs/2410.12285
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
Autor:
Brener-Raffalli, Kelly, Vidal-Dupiol, Jeremie, Adjeroud, Mehdi, Rey, Olivier, Romans, Pascal, Bonhomme, François, Pratlong, Marine, Haguenauer, Anne, Pillot, Rémi, Feuillassier, Lionel, Claereboudt, Michel, Magalon, Hélène, Gélin, Pauline, Pontarotti, Pierre, Aurelle, Didier, Mitta, Guillaume, Toulza, Eve
Publikováno v:
Peer Community Journal, Vol 2, Iss , Pp - (2022)
Ecosystems worldwide are suffering from climate change. Coral reef ecosystems are globally threatened by increasing sea surface temperatures. However, gene expression plasticity provides the potential for organisms to respond rapidly and effectively
Externí odkaz:
https://doaj.org/article/ebefdf2b03a541ffb63a193cd1e502ae
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:
Misko, V. R., Baraban, L., Makarov, D., Huang, T., Gelin, P., Mateizel, I., Wouters, K., De Munck, N., Nori, F., De Malsche, W.
Publikováno v:
Soft Matter 19, 8635-8648 (2023)
Active systems -- including sperm cells, living organisms like bacteria, fish, birds, or active soft matter systems like synthetic ''microswimmers'' -- are characterized by motility, i.e., the ability to propel using their own ''engine''. Motility is
Externí odkaz:
http://arxiv.org/abs/2404.05422
We offer a theoretical perspective on simulation and engineering of polaritonic conical-intersection-driven singlet-fission (SF) materials. Using rubrene as an example and applying the numerically accurate Davydov-Ansatz methodology, we derive dynami
Externí odkaz:
http://arxiv.org/abs/2403.08286
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
Dynamics of the sub-Ohmic spin-boson model under polarized initial conditions at finite temperature is investigated by employing both analytical tools and the numerically accurate hierarchical equations of motion-tensor train method. By analyzing the
Externí odkaz:
http://arxiv.org/abs/2402.02138