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Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex…

This study aims to present a material based, second order design method that makes the rapid creation of bridging structures in order to connect two or more horizontal planes which are currently separated and three design instances created…

Graphics · Computer Science 2023-12-22 Demircan Tas

Nanoparticles with "sticky patches" have long been proposed as building blocks for the self-assembly of complex structures. The synthetic realizability of such patchy particles, however, greatly lags behind predictions of patterns they…

Soft Condensed Matter · Physics 2013-10-03 Michael Grünwald , Phillip L. Geissler

We define a triangle design as a partition of the set of lines of a projective space into triangles, where a triangle consists of three pairwise intersecting lines with no common point. A triangle design is balanced if all points are…

Combinatorics · Mathematics 2025-07-10 Minjia Shi , Xiaoxiao Li , Denis S. Krotov

A new construction of codes from old ones is considered, it is an extension of the matrix-product construction. Several linear codes that improve the parameters of the known ones are presented.

Information Theory · Computer Science 2024-05-01 Fernando Hernando , Diego Ruano

We propose a set of compositional design patterns to describe a large variety of systems that combine statistical techniques from machine learning with symbolic techniques from knowledge representation. As in other areas of computer science…

Artificial Intelligence · Computer Science 2019-05-30 Frank van Harmelen , Annette ten Teije

Some simple nonlinear recursions which can be completely managed are identified and the behaviour of all their solutions is ascertained.

Exactly Solvable and Integrable Systems · Physics 2024-05-02 Francesco Calogero

An interval in a combinatorial structure S is a set I of points which relate to every point from S I in the same way. A structure is simple if it has no proper intervals. Every combinatorial structure can be expressed as an inflation of a…

Combinatorics · Mathematics 2014-01-14 Robert Brignall , Nik Ruskuc , Vince Vatter

We consider analogues of the Bernstein-Gelfand-Gelfand resolution in a highest weight category $\mathscr{P}$. We prove the resulting category of complexes is a chain-level lift of the heart of the constructible $t$-structure on its bounded…

Representation Theory · Mathematics 2019-10-17 Gurbir Dhillon

In this paper we develop in detail the geometric constructions that lead to many uniqueness results for the determination of polyhedral sets, typically scatterers, by a finite minimal number of measurements. We highlight how unique…

Analysis of PDEs · Mathematics 2023-10-10 Luca Rondi

The main target of retrosynthesis is to recursively decompose desired molecules into available building blocks. Existing template-based retrosynthesis methods follow a template selection stereotype and suffer from limited training…

Chemical Physics · Physics 2022-12-26 Chaochao Yan , Peilin Zhao , Chan Lu , Yang Yu , Junzhou Huang

Proving correctness of distributed or concurrent algorithms is a mind-challenging and complex process. Slight errors in the reasoning are difficult to find, calling for computer-checked proof systems. In order to build computer-checked…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-11-21 Armando Castañeda , Aurélie Hurault , Philippe Quéinnec , Matthieu Roy

In this note a bijection is constructed between the set of partitions of n simultaneously s-regular and t-distinct, and those simultaneously t-regular and s-distinct. Some implications of the map are discussed. As a generalized version of…

Combinatorics · Mathematics 2022-08-04 William J. Keith

A $(v, k, \lambda)$ symmetric design is said to have the symmetric difference property (SDP) if the symmetric difference of any three blocks is either a block or the complement of a block. Symmetric designs fulfilling this property have the…

Combinatorics · Mathematics 2021-11-12 Andrew Clickard

We show how two iterated products of selection functions can both be used in conjunction with system T to interpret, via the dialectica interpretation and modified realizability, full classical analysis. We also show that one iterated…

Logic in Computer Science · Computer Science 2014-08-18 Martin Escardo , Paulo Oliva

We give a general construction of triangulations starting from a walk in the quarter plane with small steps, which is a discrete version of the mating of trees. We use a special instance of this construction to give a bijection between maps…

Combinatorics · Mathematics 2021-02-01 Philippe Biane

Because of the importance of object oriented methodologies, the research in developing new measure for object oriented system development is getting increased focus. The most of the metrics need to find the interactions between the objects…

Software Engineering · Computer Science 2010-08-11 K. M. Azharul Hasan , Mohammad Sabbir Hasan

Because of the importance of object oriented methodologies, the research in developing new measure for object oriented system development is getting increased focus. The most of the metrics need to find the interactions between the objects…

Software Engineering · Computer Science 2010-07-15 K. M. Azharul Hasan , Mohammad Sabbir Hasan

We devise a method for designing materials that will have some desired structural characteristics. We apply it to multiblock copolymers that have two different types of monomers, A and B. We show how to determine what sequence of A's and…

Condensed Matter · Physics 2009-10-28 Tanya Kurosky , J. M. Deutsch

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti