Article
Chemistry, Physical
Bei-Lei Liu, Yue-Chao Wang, Yu Liu, Hai-Feng Liu, Hai-Feng Song
Summary: We have developed a doubly screened Coulomb correction (DSCC) method for efficiently correcting the on-site Coulomb interaction in strongly correlated materials, and it can accurately simulate electronic and magnetic properties. Compared to hybrid functionals, DSCC has comparable accuracy but is an order of magnitude faster, and it can reflect the difference in the Coulomb interaction between metallic and insulating situations.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Multidisciplinary Sciences
Jacqueline Bloch, Andrea Cavalleri, Victor Galitski, Mohammad Hafezi, Angel Rubio
Summary: A goal of modern condensed-matter physics is to search for states of matter with emergent properties and desirable functionalities. By controlling light-matter interactions, it is possible to manipulate and synthesize strongly correlated quantum matter, leading to phenomena like photon-mediated superconductivity, cavity fractional quantum Hall physics, and optically driven topological phenomena.
Article
Materials Science, Multidisciplinary
Shuai-Kang Zhang, Zhao-Yi Zeng, Yuan-Ji Xu, Xiang-Rong Chen, Guang-Fu Ji
Summary: In this study, the surface electronic structures of CeCo2P2 with P- and Ce-terminated layer structures were investigated using density functional theory (DFT) and DFT+dynamical mean field theory method. The results showed that the surface states of the paramagnetic P-terminated slab exhibited heavy-fermion behavior, and the surface Ce-4f5/2 band in the P-terminated slab was closer to the Fermi level (EF) than that in bulk, hybridizing with Co-3d conductive bands. However, the surface Ce of the Ce-terminated slab was closer to the atomic state with lower hybridization strength, leading to a weaker Kondo resonance peak near EF.
Article
Physics, Multidisciplinary
Sebastiano Peotta, Fredrik Brange, Aydin Deger, Teemu Ojanen, Christian Flindt
Summary: Dynamical phase transitions extend the concept of criticality to nonstationary settings, involving sudden changes in the macroscopic properties of time-evolving quantum systems. The research combines symmetry, topology, and nonequilibrium physics, utilizing Loschmidt cumulants to determine critical times of interacting many-body systems. Experimental prospects include predicting the first critical time of a quantum many-body system by measuring energy fluctuations in the initial state, with potential implementation on near-term quantum computers with a limited number of qubits.
Review
Chemistry, Physical
Vasily R. Shaginyan, Alfred Z. Msezane, George S. Japaridze, Stanislav A. Artamonov, Yulya S. Leevik
Summary: This review discusses the topological fermion condensation quantum phase transition (FCQPT) in strongly correlated Fermi systems, and compares theoretical considerations with experimental data. The study finds that the fermion condensation theory provides a sound explanation for the complex behavior and thermodynamic/transport properties of frustrated insulators and heavy fermion metals.
Article
Chemistry, Physical
Daria Drwal, Pavel Beran, Micha Hapka, Marcin Modrzejewski, Adam Sokol, Libor Veis, Katarzyna Pernal
Summary: In this work, a new approach based on adiabatic connection is proposed to accurately describe the electronic structure, especially for systems with strong electron correlation. It is more efficient than existing ab initio multireference dynamic correlation methods.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Pavlo Golub, Andrej Antalik, Pavel Beran, Jiri Brabec
Summary: We have developed a new machine-learning model to predict mutual information for strongly correlated systems, which is a complex quantity but carries important information about the correlation structure. In this study, we replaced expensive DMRG calculations with our newly trained ML model to predict mutual information. We demonstrated the model's performance in determining correlation structure and orbital ordering for accurate DMRG calculations, comparing the results with those obtained from accurate DMRG calculations.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Physics, Multidisciplinary
R. J. Koch, R. Sinclair, M. T. McDonnelle, R. Yu, M. Abeykoon, M. G. Tucker, A. M. Tsvelik, S. J. L. Billinge, H. D. Zhou, W-G Yin, E. S. Bozin
Summary: Through examining the local structure of NaTiSi2O6, it was found that there is a preexisting local symmetry breaking before the Ti-dimerization orbital-assisted Peierls transition at 210 K. The dimers evolve into a short range orbital degeneracy lifted (ODL) state with dual orbital character as the temperature increases, persisting up to at least 490 K. The ODL state is correlated over a length scale spanning about 6 sites of the Ti zigzag chains, suggesting that the ODL phenomenology extends to strongly correlated electron systems.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Sumanta K. K. Ghosh, Debashree Ghosh
Summary: Machine learning (ML) has been applied to optimize the matrix product state (MPS) ansatz for the wavefunction of strongly correlated systems. The ML optimization of MPS for the Heisenberg Hamiltonian on one-dimensional and ladder lattices, corresponding to conjugated molecular systems, has been tested. The input descriptors are lattice configurations and the output is configuration interaction coefficients for the supervised ML.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Review
Chemistry, Multidisciplinary
Roman Kuzian
Summary: The discovery of high-Tc superconductivity in cuprates in 1986 shifted the focus of solid-state research to strongly correlated transition metal compounds, which had previously been considered exotic worlds only of interest to pure theorists. Condensed matter physics topics such as high-Tc superconductivity, colossal magnetoresistance, multiferroicity, and ferromagnetism in diluted magnetic semiconductors are often related to these strongly correlated systems. The study of these compounds requires methods and models beyond the mean field approximation, and examples of response function calculations are discussed for the interpretation of experimental information.
Article
Chemistry, Physical
Haodong Zhang, Jingxiang Zou, Xiaochuan Ren, Shuhua Li
Summary: The Anequation-of-motion block-correlated coupled cluster method based on the generalized valence bond wave function (EOM-GVB-BCCC) is proposed to describe low-lying excited states for strongly correlated systems. The EOM-GVB-BCCC2b method, which includes up to two-pair correlation, has been successfully implemented and tested for several strongly correlated systems. The results of EOM-GVB-BCCC2b for a water hexamer and four conjugated diradical species are consistent with the density matrix renormalization group (DMRG) results.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Abhishek Sarkar, Di Wang, Mohana Kante, Luis Eiselt, Vanessa Trouillet, Gleb Iankevich, Zhibo Zhao, Subramshu S. Bhattacharya, Horst Hahn, Robert Kruk
Summary: Technologically relevant strongly correlated phenomena exhibited by perovskite manganites are enhanced by the coexistence of multiple competing magneto-electronic phases. The recently discovered high entropy oxides exhibit indications of an inherent magneto-electronic phase separation encapsulated in a single crystallographic phase. Combining the high entropy concept with standard property control, the study demonstrates the potential for a synergetic development of strongly correlated oxides offered by the high entropy design approach.
ADVANCED MATERIALS
(2023)
Review
Quantum Science & Technology
Herbert F. Fotso, Ka-Ming Tam, Juana Moreno
Summary: This article discusses the challenges of strongly correlated systems, the importance of computational methods in addressing these challenges, and the development and application of multiscale many-body methods.
QUANTUM SCIENCE AND TECHNOLOGY
(2022)
Review
Multidisciplinary Sciences
Vasily R. Shaginyan, Alfred Z. Msezane, Mikhail V. Zverev
Summary: This short review discusses the transport properties of strongly correlated Fermi systems, such as heavy fermion metals and high-Tc superconductors. Their transport properties, influenced by strong inter-particle interactions, exhibit unconventional behavior such as temperature-linear resistivity and non-Fermi liquid behavior.
Article
Automation & Control Systems
Emily A. A. Reed, Guilherme Ramos, Paul Bogdan, Sergio Pequito
Summary: In this article, a scalable distributed solution is proposed for finding strongly connected components (SCCs) and the diameter of a directed network. The solution leverages dynamical consensus-like protocols and has a time complexity of O(NDd(max) (in-degree)), where N is the number of vertices, D is the network diameter, and d(max) (in-degree) is the maximum in-degree. It is proven that the algorithm terminates in D + 2 iterations, allowing the retrieval of the finite network diameter. Exhaustive simulations demonstrate the outperformance of the proposed algorithm on various random networks.
IEEE TRANSACTIONS ON AUTOMATIC CONTROL
(2023)
Review
Physics, Multidisciplinary
Herbert F. Fotso, James K. Freericks
FRONTIERS IN PHYSICS
(2020)
Article
Physics, Multidisciplinary
K-M Tam, Y. Zhang, H. Terletska, Y. Wang, M. Eisenbach, L. Chioncel, J. Moreno
Summary: The method is based on the locally self-consistent multiple scattering theory and the typical medium theory, dividing the system into small designated local interaction zones for studying random systems with large numbers of sites. Results for the three-dimensional Anderson model with different random disorder potential distributions show that the method can capture localization for commonly studied disorder potentials.
Article
Physics, Multidisciplinary
H. Terletska, A. Moilanen, K-M Tam, Y. Zhang, Y. Wang, M. Eisenbach, N. S. Vidhyadhiraja, L. Chioncel, J. Moreno
Summary: The study utilizes a finite cluster typical medium approach to investigate the Anderson localization transition in three dimensions, demonstrating fast convergence and the importance of typical medium environment and non-local spatial correlations. The method can recover the correct critical disorder strength as the cluster size increases, highlighting the significance of non-local cluster corrections for capturing mobility edge trajectories of the localization behavior. The findings suggest that the typical medium cluster approach developed provides a consistent and systematic description of the Anderson localization transition within the framework of effective medium embedding schemes.
Article
Multidisciplinary Sciences
Ka-Ming Tam, Nicholas Walker, Juana Moreno
Summary: In the US, different states have adopted different policies and timing for easing COVID-19 mitigation measures, resulting in significant differences between actual death counts and projected figures. The study finds that mandating face masks shows the strongest correlation with the number of deaths.
SCIENTIFIC REPORTS
(2022)
Article
Crystallography
Ka-Ming Tam, Hanna Terletska, Tom Berlijn, Liviu Chioncel, Juana Moreno
Summary: A real space cluster extension method was developed to study Anderson localization, successfully capturing the phenomena in all disorder regimes. The approach accurately obtained the critical disorder strength for 3D Anderson localization and systematically recovered the re-entrance behavior of the mobility edge. This methodology offers potential to study Anderson localization at surfaces within quantum embedding theory, allowing for the exploration of the interplay between topology and Anderson localization from first principles.
Review
Quantum Science & Technology
Herbert F. Fotso, Ka-Ming Tam, Juana Moreno
Summary: This article discusses the challenges of strongly correlated systems, the importance of computational methods in addressing these challenges, and the development and application of multiscale many-body methods.
QUANTUM SCIENCE AND TECHNOLOGY
(2022)
Article
Crystallography
Nicholas Walker, Samuel Kellar, Yi Zhang, Ka-Ming Tam, Juana Moreno
Summary: This paper presents a neural network solver for the single impurity Anderson model, demonstrating its accurate results in calculating the spectral function. This opens the possibility of utilizing the neural network approach for other many-body numerical methods.
Article
Crystallography
Samuel Kellar, Ka-Ming Tam, Juana Moreno
Summary: We numerically study a three-dimensional strongly correlated system and find evidence of a separatrix between Fermi liquid and non-Fermi liquid regions by fitting the quasi-particle weight to the marginal Fermi liquid form at finite doping near the putative quantum critical point. Our results suggest the existence of a marginal Fermi liquid and possibly a quantum critical point in the non-symmetry broken solution of the three-dimensional interacting electron systems.
Article
Physics, Fluids & Plasmas
Anshumitra Baul, Nicholas Walker, Juana Moreno, Ka-Ming Tam
Summary: We generalize the application of variational autoencoders to the anisotropic two-dimensional Ising model and provide numerical evidence that a variational autoencoder can be applied to analyze quantum systems. We reproduce the phase diagram without the explicit construction of an order parameter and demonstrate the validity of using a variational autoencoder to characterize anisotropic classical and quantum models.
Article
Materials Science, Multidisciplinary
Eric Dohner, Hanna Terletska, Ka-Ming Tam, Juana Moreno, Herbert F. Fotso
Summary: We present a solution for the nonequilibrium dynamics of an interacting disordered system by adapting the equilibrium dynamical mean-field theory and the equilibrium coherent potential approximation methods. Our approach uses the Kadanoff-Baym-Keldysh complex time contour to study the dynamics of interacting disordered systems away from equilibrium. We obtain the equilibrium density of states of the disordered interacting system and observe the effect of disorder on the relaxation of the system.
Proceedings Paper
Computer Science, Software Engineering
Sirazum Munira Tisha, Rufino A. Oregon, Gerald Baumgartner, Fernando Alegre, Juana Moreno
Summary: Automatic grading systems help reduce the burden of manual grading, but existing systems have limited scope in judging code quality. This study proposes an autograder that can effectively evaluate the code quality of visual outputs created by high school students in a computational thinking course, and experimental results demonstrate its effectiveness.
2022 IEEE/ACM 4TH INTERNATIONAL WORKSHOP ON SOFTWARE ENGINEERING EDUCATION FOR THE NEXT GENERATION (SEENG 2022)
(2022)
Proceedings Paper
Computer Science, Interdisciplinary Applications
Yu Chen, Lori Martin, John Underwood, Fernando Alegre, Alicia Whidden, Mahannah El-Farrah, Juana Moreno
Summary: This study focused on teachers' experiences in implementing culturally relevant pedagogy (CRP) in grade 6-12 computing classrooms. Some teachers tended to understand cultural differences from a color-blind perspective, and due to limited resources, teachers often found it difficult to enrich students' learning experiences by adding individualized culturally relevant components.
IEEE STCBP RESPECT CONFERENCE: 2021 RESEARCH ON EQUITY AND SUSTAINED PARTICIPATION IN ENGINEERING, COMPUTING, AND TECHNOLOGY (RESPECT)
(2021)
Article
Multidisciplinary Sciences
Ka-Ming Tam, Nicholas Walker, Juana Moreno