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Chemical Physics

Authors and titles for recent submissions, skipping first 26

[ total of 39 entries: 1-25 | 2-26 | 27-39 ]
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Tue, 14 May 2024 (continued, showing last 4 of 9 entries)

[27]  arXiv:2405.07410 (cross-list from math-ph) [pdf, other]
Title: Non-unique Hamiltonians for Discrete Symplectic Dynamics
Authors: Liyan Ni, Yihao Zhao, Zhonghan Hu
Comments: 4 pages, 1 figure
Subjects: Mathematical Physics (math-ph); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)
[28]  arXiv:2405.07058 (cross-list from cond-mat.mtrl-sci) [pdf, other]
Title: Mixed quantum-classical modeling of exciton-phonon scattering in solids: Application to optical linewidths of monolayer MoS2
Authors: Alex Krotz, Roel Tempelaar
Comments: 9 pages, 3 figures
Subjects: Materials Science (cond-mat.mtrl-sci); Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Chemical Physics (physics.chem-ph); Quantum Physics (quant-ph)
[29]  arXiv:2405.06776 (cross-list from cond-mat.str-el) [pdf, other]
Title: Combining complex conjugation, time-reversal, and spin symmetry projection of coupled cluster wave functions
Authors: Ruiheng Song, Thomas M. Henderson, Gustavo E. Scuseria
Subjects: Strongly Correlated Electrons (cond-mat.str-el); Chemical Physics (physics.chem-ph)
[30]  arXiv:2405.06659 (cross-list from q-bio.BM) [pdf, other]
Title: ControlMol: Adding Substruture Control To Molecule Diffusion Models
Authors: Qi Zhengyang, Liu Zijing, Zhang Jiying, Cao He, Li Yu
Comments: 9 pages,7 figures
Subjects: Biomolecules (q-bio.BM); Artificial Intelligence (cs.AI); Machine Learning (cs.LG); Chemical Physics (physics.chem-ph)

Mon, 13 May 2024

[31]  arXiv:2405.06514 [pdf, other]
Title: Autodetachment of diatomic carbon anions from long-lived high-rotation quartet states
Authors: Viviane C. Schmidt (1), Roman Čurík (2), Milan Ončák (3), Klaus Blaum (1), Sebastian George (1), Jürgen Göck (1), Manfred Grieser (1), Florian Grussie (1), Robert von Hahn (1), Claude Krantz (1), Holger Kreckel (1), Oldřich Novotný (1), Kaija Spruck (1), Andreas Wolf (1) ((1) Max-Planck-Institut für Kernphysik, Heidelberg, Germany, (2) J. Heyrovský Institute of Physical Chemistry, Academy of Sciences, Prague, Czech Republic, (3) Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens-Universität Innsbruck, Innsbruck, Austria)
Comments: This is a letter of a joint submission aimed to Phys. Rev. Lett. with a companion paper in Phys. Rev. A. The title of the companion paper is: "Unimolecular processes in diatomic carbon anions at high rotational excitation"
Subjects: Chemical Physics (physics.chem-ph)
[32]  arXiv:2405.06493 [pdf, other]
Title: Unimolecular processes in diatomic carbon anions at high rotational excitation
Authors: Viviane C. Schmidt (1), Roman Čurík (2), Milan Ončák (3), Klaus Blaum (1), Sebastian George (1), Jürgen Göck (1), Manfred Grieser (1), Florian Grussie (1), Robert von Hahn (1), Claude Krantz (1), Holger Kreckel (1), Oldřich Novotný (1), Kaija Spruck (1), Andreas Wolf (1) ((1) Max-Planck-Institut für Kernphysik, Heidelberg, Germany, (2) J. Heyrovský Institute of Physical Chemistry, Academy of Sciences, Prague, Czech Republic, (3) Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens-Universität Innsbruck, Innsbruck, Austria)
Comments: This is a longer and detailed paper of a joint submission aimed to Phys. Rev. A with a companion letter in Phys. Rev. Lett.. The title of the companion paper is: "Autodetachment of diatomic carbon anions from long-lived high-rotation quartet states"
Subjects: Chemical Physics (physics.chem-ph)
[33]  arXiv:2405.06344 [pdf, other]
Title: Controlled molecule injector for cold, dense, and pure molecular beams at the European x-ray free-electron laser
Authors: Lanhai He, Melby Johny, Thomas Kierspel, Karol Długołęcki, Sadia Bari, Rebecca Boll, Hubertus Bromberger, Marcello Coreno, Alberto De Fanis, Michele Di Fraia, Benjamin Erk, Mathieu Gisselbrecht, Patrik Grychtol, Per Eng-Johnsson, Tommaso Mazza, Jolijn Onvlee, Yevheniy Ovcharenko, Jovana Petrovic, Nils Rennhack, Daniel E. Rivas, Artem Rudenko, Eckart Rühl, Lucas Schwob, Marc Simon, Florian Trinter, Sergey Usenko, Joss Wiese, Michael Meyer, Sebastian Trippel, Jochen Küpper
Subjects: Chemical Physics (physics.chem-ph); Atomic and Molecular Clusters (physics.atm-clus)
[34]  arXiv:2405.06207 [pdf, other]
Title: Nuclear Quantum Effects on the Electronic Structure of Water and Ice
Authors: Margaret Berrens, Arpan Kundu, Marcos F. Calegari Andrade, Tuan Anh Pham, Giulia Galli, Davide Donadio
Comments: 16 pages, 4 figures
Subjects: Chemical Physics (physics.chem-ph); Soft Condensed Matter (cond-mat.soft)
[35]  arXiv:2405.06348 (cross-list from physics.bio-ph) [pdf, other]
Title: Local topology and perestroikas in protein structure and folding dynamics
Authors: Alexander Begun, Maxim N. Chernodub, Alexander Molochkov, Antti J. Niemi
Comments: 18 pages, 11 figures
Subjects: Biological Physics (physics.bio-ph); Soft Condensed Matter (cond-mat.soft); Mathematical Physics (math-ph); Chemical Physics (physics.chem-ph)
[36]  arXiv:2405.06212 (cross-list from cond-mat.mtrl-sci) [pdf, ps, other]
Title: P-doping improves the stability of BP-N at ambient conditions
Authors: Guo Chen, Jie Zhang, Zhi Zeng, Xianlong Wang
Comments: 27 pages, 6 figures
Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)
[37]  arXiv:2405.06077 (cross-list from cond-mat.str-el) [pdf, other]
Title: Towards accurate spin-orbit splittings from relativistic multireference electronic structure theory
Authors: Zijun Zhao, Francesco A. Evangelista
Subjects: Strongly Correlated Electrons (cond-mat.str-el); Chemical Physics (physics.chem-ph)
[38]  arXiv:2405.05974 (cross-list from physics.flu-dyn) [pdf, other]
Title: Symbolic construction of the chemical Jacobian of quasi-steady state (QSS) chemistries for Exascale computing platforms
Authors: Malik Hassanaly, Nicholas T. Wimer, Anne Felden, Lucas Esclapez, Julia Ream, Marc T. Henry de Frahan, Jon Rood, Marc Day
Subjects: Fluid Dynamics (physics.flu-dyn); Symbolic Computation (cs.SC); Chemical Physics (physics.chem-ph)
[39]  arXiv:2405.05722 (cross-list from cs.LG) [pdf, other]
Title: A Framework of SO(3)-equivariant Non-linear Representation Learning and its Application to Electronic-Structure Hamiltonian Prediction
Authors: Shi Yin, Xinyang Pan, Fengyan Wang, Feng Wu, Lixin He
Subjects: Machine Learning (cs.LG); Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)
[ total of 39 entries: 1-25 | 2-26 | 27-39 ]
[ showing 25 entries per page: fewer | more | all ]

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