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In this paper, a topological classification of molecules and their chemical reactions is proposed on a single particle level . We consider zero-dimensional electronic Hamiltonians in a real-space tight-binding basis with spinless…

Chemical Physics · Physics 2020-01-24 Lukas Muechler

Topological band theory has transformed our understanding of crystalline materials by classifying the connectivity and crossings of electronic energy levels. Extending these concepts to molecular systems has therefore attracted significant…

Strongly Correlated Electrons · Physics 2025-07-17 Ziren Xie , Amir Mirzanejad , Lukas Muechler

The application of topology, a branch of mathematics, to the study of electronic states in crystalline materials has had a revolutionary impact on the field of condensed matter physics. For example, the development of topological band…

Materials Science · Physics 2023-10-19 Christopher Daggett , Kaijie Yang , Chaoxing Liu , Lukas Muechler

Conformational transitions are ubiquitous in biomolecular systems, have significant functional roles and are subject to evolutionary pressures. Here we provide a first theoretical framework for topological transition, i.e. conformational…

Disordered Systems and Neural Networks · Physics 2015-09-02 Alireza Mashaghi , Abolfazl Ramezanpour

In this work a field theoretical model is constructed to describe the statistical mechanics of an arbitrary number of topologically linked polymers in the context of the analytical approach of Edwards. As an application, the effects of the…

High Energy Physics - Theory · Physics 2007-05-23 F. Ferrari , I. Lazzizzera

One of the essential tasks in connectomics is the morphology analysis of neurons and organelles like mitochondria to shed light on their biological properties. However, these biological objects often have tangled parts or complex branching…

Computer Vision and Pattern Recognition · Computer Science 2020-04-22 Abhimanyu Talwar , Zudi Lin , Donglai Wei , Yuesong Wu , Bowen Zheng , Jinglin Zhao , Won-Dong Jang , Xueying Wang , Jeff W. Lichtman , Hanspeter Pfister

We classify topological phases of non-Hermitian systems in the Altland-Zirnbauer classes with an additional reflection symmetry in all dimensions. By mapping the non-Hermitian system into an enlarged Hermitian Hamiltonian with an enforced…

Mesoscale and Nanoscale Physics · Physics 2019-03-13 Chun-Hui Liu , Hui Jiang , Shu Chen

Graphdiynes (GDYs) as two-dimensional carbon structures based on sp2 hybridized aromatic rings connected by sp-hybridized acetylenic linear links are gathering an increasing popularity, both for their peculiar properties and for the…

Materials Science · Physics 2021-08-03 Patrick Serafini , Alberto Milani , Matteo Tommasini , Carlo E. Bottani , Carlo S. Casari

Topological materials have become the focus of intense research in recent years, since they exhibit fundamentally new physical phenomena with potential applications for novel devices and quantum information technology. One of the hallmarks…

Mesoscale and Nanoscale Physics · Physics 2016-09-01 Ching-Kai Chiu , Jeffrey C. Y. Teo , Andreas P. Schnyder , Shinsei Ryu

At higher altitudes, for high temperature gases, for instance near space shuttles moving at hypersonic speed, not only mechanical collisions are affecting the gas flow, but also chemical reactions have an impact on such hypersonic flows. In…

Analysis of PDEs · Mathematics 2024-08-16 Niclas Bernhoff

Circuit topology refers to the arrangement of interactions between objects belonging to a linearly ordered object set. Linearly ordered set of objects are common in nature and occur in a wide range of applications in economics, computer…

Disordered Systems and Neural Networks · Physics 2015-09-02 Alireza Mashaghi , Abolfazl Ramezanpour

Topological phononic crystals, alike their electronic counterparts, are characterized by a bulk-edge correspondence where the interior of a material dictates the existence of stable surface or boundary modes. In the mechanical setup, such…

Mesoscale and Nanoscale Physics · Physics 2016-09-02 Roman Süsstrunk , Sebastian D. Huber

Correlations in topological states of matter provide a rich phenomenology, including a reduction in the topological classification of the interacting system compared to its non-interacting counterpart. This happens when two phases that are…

Strongly Correlated Electrons · Physics 2020-07-01 Johannes S. Hofmann , Fakher F. Assaad , Raquel Queiroz , Eslam Khalaf

We present a new method for the statistical process control of lattice structures using tools from Topological Data Analysis. Motivated by applications in additive manufacturing, such as aerospace components and biomedical implants, where…

Methodology · Statistics 2025-10-15 Yulin An , Xueqi Zhao , Enrique del Castillo

Certain band insulators allow for the adiabatic pumping of quantized charge or spin for special time-dependences of the Hamiltonian. These "topological pumps" are closely related to two dimensional topological insulating phases of matter…

Mesoscale and Nanoscale Physics · Physics 2013-07-31 Dganit Meidan , Tobias Micklitz , Piet W. Brouwer

This paper illustrates a further application of topological data analysis to the study of self-organising models for chemical and biological systems. In particular, we investigate whether topological summaries can capture the parameter…

Quantitative Methods · Quantitative Biology 2024-10-01 Reemon Spector , Heather A. Harrington , Eamonn A. Gaffney

The bottom-up design of strongly interacting quantum materials with prescribed ground state properties is a highly nontrivial task, especially if only simple constituents with realistic two-body interactions are available on the microscopic…

Quantum Physics · Physics 2025-11-10 Tobias F. Maier , Hans Peter Büchler , Nicolai Lang

We adapt the topological quantum chemistry formalism to layer groups, and apply it to study the band topology of 8,872 entries from the computational two-dimensional (2D) materials databases C2DB and MC2D. In our analysis, we find 4,073…

Mesoscale and Nanoscale Physics · Physics 2024-11-15 Urko Petralanda , Yi Jiang , B. Andrei Bernevig , Nicolas Regnault , Luis Elcoro

The context of this paper is the use of formal methods for topology-based geometric modelling. Topology-based geometric modelling deals with objects of various dimensions and shapes. Usually, objects are defined by a graph-based topological…

Graphics · Computer Science 2011-02-15 Thomas Bellet , Agnès Arnould , Pascale Le Gall

The search for materials with topological properties is an ongoing effort. In this article we propose a systematic statistical method supported by machine learning techniques that is capable of constructing topological models for a generic…

Mesoscale and Nanoscale Physics · Physics 2021-02-18 Thomas Mertz , Roser Valentí
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