Related papers: The structure of thin boron nanowires predicted us…
In a recent computational study, we found highly structured ground states for coarse-grained polymers adsorbed to ultrathin nanowires in a certain model parameter region. Those tubelike configurations show, even at a first glance, exciting…
We briefly review the status of our understanding of hadron structure based on QCD. This includes the role of symmetries, especially chiral symmetry, and the insights provided by lattice QCD. The main focus is on baryon structure and…
Voronoi diagrams appear in many areas in science and technology and have numerous applications. They have been the subject of extensive investigation during the last decades. Roughly speaking, they are a certain decomposition of a given…
Challenging optimisation problems are abundant in all areas of science. Since the 1950s, scientists have developed ever-diversifying families of black box optimisation algorithms designed to address any optimisation problem, requiring only…
We find monodromy formulas for line arrangements which are fibered with respect to the projection from one point. We use them to find $0$-dimensional translated components in the first characteristic variety of the arrangement $\mathcal…
A full understanding of RNA-mediated biology would require the knowledge of three-dimensional (3D) structures, structural flexibility and stability of RNAs. To predict RNA 3D structures and stability, we have previously proposed a…
This paper studies the applicability of evolutionary algorithms, particularly, the evolution strategies family in order to estimate a degradation parameter in the shear design of reinforced concrete members. This problem represents a great…
Understanding the long-term evolution of hierarchical triple systems is challenging due to its inherent chaotic nature, and it requires computationally expensive simulations. Here we propose a convolutional neural network model to predict…
The structure of nanoclusters is complex to describe due to their noncrystallinity, even though bonding and packing constraints limit the local atomic arrangements to only a few types. A computational scheme is presented to extract…
In this paper a systematic examination of graphene/hexagonal boron nitride (g/hBN) bilayers is presented, through a recently developed two-dimensional phase field crystal model that incorporates out-of-plane deformations. The system…
Using machine learning, especially deep learning, to facilitate biological research is a fascinating research direction. However, in addition to the standard classification or regression problems, in bioinformatics, we often need to predict…
This short paper presents an abstract, tunable model of genomic structural change within the cell lifecycle and explores its use with simulated evolution. A well-known Boolean model of genetic regulatory networks is extended to include…
We present an algorithm for generating all derivative superstructures--for arbitrary parent structures and for any number of atom types. This algorithm enumerates superlattices and atomic configurations in a geometry-independent way. The…
The fundamental principles underlying the arrangement of elements into solid compounds with an enormous variety of crystal structures are still largely unknown. This study presents a general overview of the structure types appearing in an…
First-principles calculations through a FLAPW-GGA method for six possible polymorphs of ruthenium mononitride RuN with various atomic coordination numbers CNs: cubic zinc blende (ZB) and cooperite PtS-like structures with CNs = 4; cubic…
Industrial use of ultrashort-pulse surface structuring would significantly increase by an effective utilization of the average laser powers available currently. However, the unexplained degradation of surfaces processed with numerous pulses…
Many types of data from fields including natural language processing, computer vision, and bioinformatics, are well represented by discrete, compositional structures such as trees, sequences, or matchings. Latent structure models are a…
RNA design aims to identify RNA sequences that fold into a target secondary structure. This task is challenging in terms of computational efficiency. Most existing methods focus on either minimum free energy (MFE)-based or ensemble-based…
Two-dimensional (2D) bilayers, twisted to particular angles to display electronic flat bands, are being extensively explored for physics of strongly correlated 2D systems. However, the similar rich physics of one-dimensional (1D) strongly…
Structural cellular materials in nature, such as wood, trabecular bone, corals, and dentin combine complex biological functions with structural roles, such as skeletal support and impact protection1,2. They feature complex structural…