Chemical Physics

Authors and titles for physics.chem-ph in Apr 2024, skipping first 175

[176]  arXiv:2404.13403 (cross-list from cond-mat.mtrl-sci) [pdf, ps, other]

Title: Magnetic properties of layered hybrid organic-inorganic metal-halide perovskites: transition metal, organic cation and perovskite phase effects

Authors: Yaiza Asensio, Sergio Marras, Davide Spirito, Marco Gobbi, Mihail Ipatov, Fèlix Casanova, Aurelio Mateo-Alonso, Luis E. Hueso, Beatriz Martín-García

Comments: 5 figures

Journal-ref: Adv. Funct. Mater. 2022, 32, 2207988

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)

[177]  arXiv:2404.13560 (cross-list from cond-mat.mtrl-sci) [pdf, ps, other]

Title: Tailoring Photoluminescence by Strain-Engineering in Layered Perovskite Flakes

Authors: Davide Spirito, María Barra-Burillo, Francesco Calavalle, Costanza Lucia Manganelli, Marco Gobbi, Rainer Hillenbrand, Fèlix Casanova, Luis E. Hueso, Beatriz Martín-García

Comments: 4 figures

Journal-ref: Nano Lett. 2022, 22 (10), 4153-4160

Subjects: Materials Science (cond-mat.mtrl-sci); Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Chemical Physics (physics.chem-ph)

[178]  arXiv:2404.14101 (cross-list from quant-ph) [pdf, other]

Title: Efficient molecular conformation generation with quantum-inspired algorithm

Authors: Yunting Li, Xiaopeng Cui, Zhaoping Xiong, Zuoheng Zou, Bowen Liu, Bi-Ying Wang, Runqiu Shu, Huangjun Zhu, Nan Qiao, Man-Hong Yung

Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph)

[179]  arXiv:2404.14258 (cross-list from quant-ph) [pdf, other]

Title: Quantum-Enhanced Neural Exchange-Correlation Functionals

Authors: Igor O. Sokolov, Gert-Jan Both, Art D. Bochevarov, Pavel A. Dub, Daniel S. Levine, Christopher T. Brown, Shaheen Acheche, Panagiotis Kl. Barkoutsos, Vincent E. Elfving

Subjects: Quantum Physics (quant-ph); Disordered Systems and Neural Networks (cond-mat.dis-nn); Strongly Correlated Electrons (cond-mat.str-el); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[180]  arXiv:2404.14336 (cross-list from q-bio.MN) [pdf, other]

Title: Transitions and Thermodynamics on Species Graphs of Chemical Reaction Networks

Authors: Keisuke Sugie, Dimitri Loutchko, Tetsuya J. Kobayashi

Comments: 8 pages, 4 figures

Subjects: Molecular Networks (q-bio.MN); Biological Physics (physics.bio-ph); Chemical Physics (physics.chem-ph)

[181]  arXiv:2404.14531 (cross-list from quant-ph) [pdf, other]

Title: Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators

Authors: Dániel Nagy, Peter Reinholdt, Phillip W. K. Jensen, Erik Rosendahl Kjellgren, Karl Michael Ziems, Aaron Fitzpatrick, Stefan Knecht, Jacob Kongsted, Sonia Coriani, Stephan P. A. Sauer

Comments: 18 pages, 5 figures

Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph)

[182]  arXiv:2404.14744 (cross-list from cond-mat.mtrl-sci) [pdf, other]

Title: Strong exciton-polariton correlations shape the many-body polariton dynamics in two-dimensional metal halide semiconductor microcavities: Competitive pathways for polariton condensation

Authors: Victoria Quirós-Cordero, Esteban Rojas-Gatjens, Martín Gómez-Dominguez, Hao Li, Carlo A. R. Perini, Natalie Stingelin, Eric R. Bittner, Juan-Pablo Correa-Baena, Ajay Ram Srimath Kandada, Carlos Silva-Acuña

Comments: 27 pages, 6 figures, plus supplementary material document

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)

[183]  arXiv:2404.14813 (cross-list from cond-mat.mtrl-sci) [pdf, ps, other]

Title: Ultrafast nanocomposite scintillators based on Cd-enhanced CsPbCl3 nanocrystals in polymer matrix

Authors: Andrea Erroi, Francesco Carulli, Francesca Cova, Isabel Frank, Matteo L. Zaffalon, Jordi Llusar, Sara Mecca, Alessia Cemmi, Ilaria Di Sarcina, Francesca Rossi, Luca Beverina, Francesco Meinardi, Ivan Infante, Etiennette Auffray, Sergio Brovelli

Journal-ref: ACS Energy Letters, 2024

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)

[184]  arXiv:2404.14911 (cross-list from cond-mat.mtrl-sci) [pdf, ps, other]

Title: Photoinduced Spin Centers in Photocatalytic Metal-Organic Framework UiO-66

Authors: Anastasiia Kultaeva, Timur Biktagirov, Andreas Sperlich, Patrick Dörflinger, Mauricio E. Calvo, Eugenio Otal, Vladimir Dyakonov

Comments: 16 pages, 9 figures

Subjects: Materials Science (cond-mat.mtrl-sci); Applied Physics (physics.app-ph); Chemical Physics (physics.chem-ph)

[185]  arXiv:2404.15032 (cross-list from astro-ph.SR) [pdf, other]

Title: Quantum study of the CH$_3^+$ photodissociation in full dimension Neural Networks potential energy surfaces

Authors: Pablo del Mazo-Sevillano, Alfredo Aguado, Javier R. Goicoechea, Octavio Roncero

Comments: 14 pages, 12 figures, J. Chem. Phys in press

Subjects: Solar and Stellar Astrophysics (astro-ph.SR); Astrophysics of Galaxies (astro-ph.GA); Chemical Physics (physics.chem-ph)

[186]  arXiv:2404.15614 (cross-list from quant-ph) [pdf, other]

Title: Unitary Basis Transformations in Mixed Quantum-Classical Dynamics

Authors: Ken Miyazaki, Alex Krotz, Roel Tempelaar

Comments: 14 pages, 5 figures including a Table of Contents figure

Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph)

[187]  arXiv:2404.16245 (cross-list from quant-ph) [pdf, ps, other]

Title: Computationally Efficient Molecular Integrals of Solid Harmonic Gaussian Orbitals Using Quantum Entanglement of Angular Momentum

Authors: Hang Hu, Gilles Peslherbe, Hsu Kiang Ooi, Anguang Hu

Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph)

[188]  arXiv:2404.16252 (cross-list from math.OC) [pdf, other]

Title: Stabilization of hyperbolic reaction-diffusion systems on directed networks through the generalized Routh-Hurwitz criterion for complex polynomials

Authors: Riccardo Muolo, Anthony Hastir, Hiroya Nakao

Comments: Published in: 2024 SICE International Symposium on Control Systems (SICE ISCS)

Subjects: Optimization and Control (math.OC); Dynamical Systems (math.DS); Pattern Formation and Solitons (nlin.PS); Chemical Physics (physics.chem-ph)

[189]  arXiv:2404.16603 (cross-list from cond-mat.stat-mech) [pdf, other]

Title: Freezing density scaling of transport coefficients in the Weeks-Chandler-Andersen fluid

Authors: S. A. Khrapak, A. G. Khrapak

Comments: 6 pages, 2 figures

Journal-ref: The Journal of Chemical Physics 160, 134504 (2024)

Subjects: Statistical Mechanics (cond-mat.stat-mech); Soft Condensed Matter (cond-mat.soft); Chemical Physics (physics.chem-ph)

[190]  arXiv:2404.16799 (cross-list from cond-mat.stat-mech) [pdf, other]

Title: Model-free inference of memory in conformational dynamics of a multi-domain protein

Authors: Leonie Vollmar, Rick Bebon, Julia Schimpf, Bastian Flietel, Sirin Celiksoy, Carsten Sönnichsen, Aljaž Godec, Thorsten Hugel

Subjects: Statistical Mechanics (cond-mat.stat-mech); Soft Condensed Matter (cond-mat.soft); Biological Physics (physics.bio-ph); Chemical Physics (physics.chem-ph)

[191]  arXiv:2404.17026 (cross-list from cond-mat.stat-mech) [pdf, other]

Title: Catalytic Coagulation

Authors: P. L. Krapivsky, S. Redner

Comments: 8 pages, 1 figure. Version 2: terminology of the model changed. No other changes

Subjects: Statistical Mechanics (cond-mat.stat-mech); Biological Physics (physics.bio-ph); Chemical Physics (physics.chem-ph); Quantitative Methods (q-bio.QM)

[192]  arXiv:2404.17226 (cross-list from cond-mat.mtrl-sci) [pdf, ps, other]

Title: Unveiling the Boson Peaks in Amorphous Phase-Change Materials

Authors: Jens Moesgaard, Tomoki Fujita, Shuai Wei

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)

[193]  arXiv:2404.17650 (cross-list from cond-mat.soft) [pdf, other]

Title: Thermodynamic Origin of Water's Thermal Conductivity Maximum

Authors: Oliver R. Gittus, Fernando Bresme

Subjects: Soft Condensed Matter (cond-mat.soft); Chemical Physics (physics.chem-ph)

[194]  arXiv:2404.17756 (cross-list from cond-mat.soft) [pdf, other]

Title: Suppressed self-diffusion of nanoscale constituents of a complex liquid

Authors: Christian P. N. Tanner, Vivian R. K. Wall, Mumtaz Gababa, Joshua Portner, Ahhyun Jeong, Matthew J. Hurley, Nicholas Leonard, Jonathan G. Raybin, James K. Utterback, Ahyoung Kim, Andrei Fluerasu, Yanwen Sun, Johannes Moeller, Alexey Zozulya, Wonhyuk Jo, Anders Madsen, Dmitri V. Talapin, Samuel W. Teitelbaum, Naomi S. Ginsberg

Comments: 15 pages, 4 figures

Subjects: Soft Condensed Matter (cond-mat.soft); Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Materials Science (cond-mat.mtrl-sci); Statistical Mechanics (cond-mat.stat-mech); Chemical Physics (physics.chem-ph)

[195]  arXiv:2404.18129 (cross-list from cond-mat.soft) [pdf, other]

Title: Stability and Elasticity of Ultrathin Sphere-Patterned Block Copolymer Films

Authors: Le Qiao, Daniel A. Vega, Friederike Schmid

Journal-ref: Macromolecules 2024, XXXX, XXX, XXX-XXX

Subjects: Soft Condensed Matter (cond-mat.soft); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

[196]  arXiv:2404.18223 (cross-list from cs.CE) [pdf, other]

Title: On the suitability of single-edge notch tension (SENT) testing for assessing hydrogen-assisted cracking susceptibility

Authors: L. Cupertino-Malheiros, T.K. Mandal, F. Thebault, E. Martínez-Pañeda

Subjects: Computational Engineering, Finance, and Science (cs.CE); Materials Science (cond-mat.mtrl-sci); Applied Physics (physics.app-ph); Chemical Physics (physics.chem-ph)

[197]  arXiv:2404.18303 (cross-list from quant-ph) [pdf, other]

Title: Evaluating a quantum-classical quantum Monte Carlo algorithm with Matchgate shadows

Authors: Benchen Huang, Yi-Ting Chen, Brajesh Gupt, Martin Suchara, Anh Tran, Sam McArdle, Giulia Galli

Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph)

[198]  arXiv:2404.18878 (cross-list from quant-ph) [pdf, other]

Title: Spin coupling is all you need: Encoding strong electron correlation on quantum computers

Authors: Daniel Marti-Dafcik, Hugh G. A. Burton, David P. Tew

Subjects: Quantum Physics (quant-ph); Strongly Correlated Electrons (cond-mat.str-el); Chemical Physics (physics.chem-ph)

[199]  arXiv:2404.19137 (cross-list from cond-mat.str-el) [pdf, other]

Title: Thermoelectric transport properties of the quasi-one-dimensional dimer-Mott insulator $β'$-(BEDT-TTF)$_2$ICl$_2$

Authors: Kyohei Eguchi, Takeru Ito, Yoshiki J. Sato, Ryuji Okazaki, Hiromi Taniguchi

Comments: 7 pages, 5 figures. Accepted for publication in Phys. Rev. Materials

Journal-ref: Phys. Rev. Materials 8, 055402 (2024)

Subjects: Strongly Correlated Electrons (cond-mat.str-el); Materials Science (cond-mat.mtrl-sci); Soft Condensed Matter (cond-mat.soft); Chemical Physics (physics.chem-ph)