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Transport properties of 2D materials especially close to their boundary has received much attention after the successful fabrication of graphene and other fascinating materials afterwards. While most previous work is devoted to the…

Mesoscale and Nanoscale Physics · Physics 2016-12-15 Fanbing Xia , Jian Wang

The application machine learning (ML) algorithms to turbulence modeling has shown promise over the last few years, but their application has been restricted to eddy viscosity based closure approaches. In this article we discuss rationale…

Fluid Dynamics · Physics 2021-05-31 J. P. Panda , H. V. Warrior

We propose an extensive report on the simulation of electronic transport in 2D graphene in presence of structural defects. Amongst the large variety of such defects in sp$^2$ carbon-based materials, we focus on the Stone-Wales defect and on…

Mesoscale and Nanoscale Physics · Physics 2012-08-03 Aurelien Lherbier , Simon M. -M. Dubois , Xavier Declerck , Yann-Michel Niquet , Stephan Roche , Jean-Christophe Charlier

One compelling vision of the future of materials discovery and design involves the use of machine learning (ML) models to predict materials properties and then rapidly find materials tailored for specific applications. However, realizing…

Machine learning (ML) based materials discovery has emerged as one of the most promising approaches for breakthroughs in materials science. While heuristic knowledge based descriptors have been combined with ML algorithms to achieve good…

Materials Science · Physics 2021-09-28 Sadman Sadeed Omee , Steph-Yves Louis , Nihang Fu , Lai Wei , Sourin Dey , Rongzhi Dong , Qinyang Li , Jianjun Hu

In this paper, we apply both supervised and unsupervised machine learning algorithms to the study of the string landscape and swampland in 6-dimensions. Our data are the (almost) anomaly-free 6-dimensional $\mathcal{N} = (1,0)$ supergravity…

High Energy Physics - Theory · Physics 2025-09-03 Nathan Brady , David Tennyson , Thomas Vandermeulen

Magnetism prediction is of great significance for Fe-based metallic glasses (FeMGs), which have shown great commercial value. Theories or models established based on condensed matter physics exhibit several exceptions and limited accuracy.…

Materials Science · Physics 2022-03-18 Xin Li , Guangcun Shan , C. H. Shek

Simulations of quantum transport in coherent conductors have evolved into mature techniques that are used in fields of physics ranging from electrical engineering to quantum nanoelectronics and material science. The most efficient…

Mesoscale and Nanoscale Physics · Physics 2019-12-25 Mathieu Istas , Christoph Groth , Xavier Waintal

In solid mechanics, Data-driven approaches are widely considered as the new paradigm that can overcome the classic problems of constitutive models such as limiting hypothesis, complexity, and high dependence on training data. However,…

Soft Condensed Matter · Physics 2020-11-23 Aref Ghaderi , Vahid Morovati , Roozbeh Dargazany

Machine learning systems operate under the assumption that training and test data are sampled from a fixed probability distribution. However, this assumptions is rarely verified in practice, as the conditions upon which data was acquired…

Machine Learning · Computer Science 2025-07-09 Eduardo Fernandes Montesuma , Fred Maurice Ngolè Mboula , Antoine Souloumiac

Materials data, especially those related to high-temperature properties, pose significant challenges for machine learning models due to extreme skewness, wide feature ranges, modality, and complex relationships. While traditional models…

Materials Science · Physics 2025-09-22 Vahid Attari , Raymundo Arroyave

Machine learning (ML) is a promising approach for performing challenging quantum-information tasks such as device characterization, calibration and control. ML models can train directly on the data produced by a quantum device while…

Superdiffusion is an anomalous transport behavior. Recently, a new mechanism, termed the ``nodal mechanism," has been proposed to induce superdiffusion in quantum models. However, existing realizations of the nodal mechanism have so far…

Mesoscale and Nanoscale Physics · Physics 2025-11-14 Shaofeng Huang , Yu-Peng Wang , Jie Ren , Chen Fang

We investigate the transport of energy, magnetization, etc. in several finite one-dimensional (1D) quantum systems only by solving the corresponding time-dependent Schroedinger equation. We explicitly renounce on any other…

Statistical Mechanics · Physics 2007-05-23 Robin Steinigeweg , Jochen Gemmer , Mathias Michel

Variational quantum eigensolver ans\"atze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis…

We present an efficient numerical approach for treating ballistic quantum transport across devices described by tight binding (TB) Hamiltonians designated to systems with localized potential defects. The method is based on the wave function…

Mesoscale and Nanoscale Physics · Physics 2016-09-08 K. Kolasiński , A. Mreńca-Kolasińska , B. Szafran

The understanding of the material properties of the layered transition metal dichalcogenides (TMDs) is critical for their applications in structural composites. The data-driven machine learning (ML) based approaches are being developed in…

Reliable detection and quantification of quantum entanglement, particularly in high-spin or many-body systems, present significant computational challenges for traditional methods. This study examines the effectiveness of ensemble machine…

Quantum Physics · Physics 2025-07-18 M. Y. Abd-Rabbou , Amr M. Abdallah , Ahmed A. Zahia , Ashraf A. Gouda , Cong-Feng Qiao

We describe a quantum-assisted machine learning (QAML) method in which multivariate data is encoded into quantum states in a Hilbert space whose dimension is exponentially large in the length of the data vector. Learning in this space…

Quantum Physics · Physics 2021-10-13 Michael L. Wall , Giuseppe D'Aguanno

In this article we demonstrate the applications of classical and quantum machine learning in quantum transport and spintronics. With the help of a two-terminal device with magnetic impurity we show how machine learning algorithms can…

Mesoscale and Nanoscale Physics · Physics 2023-03-28 Kumar Ghosh , Sumit Ghosh