Article
Physics, Particles & Fields
Marco Matone
Summary: In this study, Friedmann's equations are formulated as second-order linear differential equations using the Schwarzian derivative technique. This representation is equivalent to eigenvalue problems and suggests the existence of a measurement problem in the equations. The study also explores the relationship between Klein-Gordon operators and the Klein-Gordon Hamilton-Jacobi equations, revealing a new symmetry of Friedmann's equations in flat space when presented in linear form.
EUROPEAN PHYSICAL JOURNAL C
(2021)
Article
Physics, Multidisciplinary
Alexander-Georg Penner, Felix von Oppen, Gergely Zarand, Martin R. Zirnbauer
Summary: The geometry of multiparameter families of quantum states plays a crucial role in various contexts, such as quantum dynamics, quantum quenches, and quantum critical points. This study focuses on the Hilbert space geometry of eigenstates of parameter-dependent random matrix ensembles, specifically deriving the probability distribution of the quantum geometric tensor for the Gaussian unitary ensemble. The analytical results provide insights into the joint distribution function of the Fubini-Study metric and the Berry curvature, with comparisons to Levy stable distributions and numerical simulations of random matrix ensembles and electrons in random magnetic fields.
PHYSICAL REVIEW LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Wouter Buijsman
Summary: This study focuses on the PXP model in the field of quantum many-body scars and provides strict lower bounds for the number of zero-energy eigenstates. The results are verified up to the system sizes used in numerical exact diagonalization and do not rely on assumptions.
Article
Materials Science, Multidisciplinary
M. A. Skvortsov, M. Amini, V. E. Kravtsov
Summary: The study investigates the response of an isolated quantum system to a perturbation controlled by a small parameter, focusing on various physical quantities such as the density of states and eigenfunction amplitude overlap correlation functions. It shows a strong peaked susceptibility of eigenfunction fidelity at the localization transition, with different behaviors in the ergodic, fractal, and localized phases as disorder strength varies.
Article
Chemistry, Physical
Maxime Pouvreau, Qing Guo, Hsiu-Wen Wang, Gregory K. K. Schenter, Carolyn I. I. Pearce, Aurora E. E. Clark, Kevin M. M. Rosso
Summary: In this study, a new type of reactive force field (RFF) is proposed as an expedient approach to sample chemical reaction paths in complex systems. It is differentiated from current models by omitting explicit dependence on the atom coordination and employing a small parameter set based on Lennard-Jones, Gaussian, and Stillinger-Weber potentials. The model is parametrized from AIMD simulation data and extensively validated against experimental radial distribution functions, computed free energy profiles for oligomerization, and formation energies. It allows simulation of early stage Al(OH)(3) nucleation with reduced computational cost compared to ReaxFF.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Computer Science, Artificial Intelligence
Bowen Deng, Peichen Zhong, KyuJung Jun, Janosh Riebesell, Kevin Han, Christopher J. Bartel, Gerbrand Ceder
Summary: This study presents the Crystal Hamiltonian Graph Neural Network (CHGNet), a machine-learning interatomic potential that accurately models atomic and electronic degrees of freedom. Through pretraining on a dataset of over 1.5 million inorganic structures, CHGNet is able to simulate various solid-state materials and provide insights into their properties.
NATURE MACHINE INTELLIGENCE
(2023)
Article
Polymer Science
Katsumi Hagita, Takahiro Murashima
Summary: By simulating the properties of rings, it was found that an increase in the size of the rings leads to an increase in the number of linear chains penetrating the rings.
Article
Multidisciplinary Sciences
James N. Freericks, Wesley N. Mathews Jr
Summary: This article introduces the application of the factorization method to solve continuum energy eigenstates.
Article
Materials Science, Multidisciplinary
Patrycja Lydzba, Marcos Rigol, Lev Vidmar
Summary: The study presents an analytic expression for the entanglement entropy of many-body eigenstates of random quadratic Hamiltonians, and explores its applicability to local Hamiltonians and those without particle-number conservation. The results provide new theoretical support and extensions for understanding entanglement entropy in quantum systems.
Article
Chemistry, Physical
Ran Chen, Lasse Jensen
Summary: This work extends the Raman bond model to periodic slab systems for interpreting chemical enhancements of surface-enhanced Raman scattering (SERS) and shows that it offers a unified interpretation for localized and periodic systems. The effects of surface coverage, thickness, and roughness on the chemical enhancements have been studied, revealing that decreasing surface coverage or creating surface roughness increases the chemical enhancements. The Raman bond model is connected to the transition-based analysis of chemical enhancements and offers a unique framework for understanding SERS spectra in terms of Raman bond distributions.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Thermodynamics
Lan Khanh Chu, Sudeshna Ghosh, Buhari Dogan, Nam Hoai Nguyen, Muhammad Shahbaz
Summary: This paper investigates the impact of energy security risks and economic complexity on the development of renewable energy sources. The study finds that economic complexity has different effects on renewable energy deployment in different income countries, while energy security risks have a positive impact. However, the impact of energy security risks on middle-income countries is unstable.
Article
Green & Sustainable Science & Technology
Buhari Dogan, Sudeshna Ghosh, Irum Shahzadi, Daniel Balsalobre-Lorente, Canh Phuc Nguyen
Summary: This study explores the importance of alternative measures of economic globalization indicators on energy demand and suggests that policies supporting economic complexity are crucial for achieving long-term sustainable development.
Article
Materials Science, Multidisciplinary
Xhek Turkeshi
Summary: In this study, unsupervised learning tools are used to investigate the transitions in quantum systems under the combined action of unitary evolution and stochastic local measurements. The principal component analysis and intrinsic dimension estimation are shown to provide order parameters, which can effectively locate the transitions and critical exponents in the classical encoding data space. The approach is verified on stabilizer circuits, demonstrating robust agreement with previous results.
Review
Energy & Fuels
Aleksander Jakimowicz
Summary: This paper argues that energy transition, as part of prosumer capitalism, is a complex socio-economic process with challenges in legislation, energy distribution, democracy, and cybersecurity. Solving this super wicked problem requires finding ways to avoid complexity catastrophe and redefining change management and complexity management methods on a global scale.
Article
Chemistry, Applied
Yujia Liu, Jie Zhu, Jiamei Yu, Xu Chen, Shuyan Zhang, Yanxue Cai, Lin Li
Summary: In this study, the inhibitory effect of vanillin against alpha-glucosidase was investigated, revealing a mixed inhibition mechanism. Vanillin could bind to alpha-glucosidase through hydrophobic interactions and hydrogen bonds, forming steric hindrance. Additionally, changes in protein secondary structure and denaturation temperature after vanillin binding resulted in an inhibitory effect.
