Optimality guarantees for crystal structure prediction
Crystalline materials enable essential technologies, and their properties are determined by
their structures. Crystal structure prediction can thus play a central part in the design of new …
their structures. Crystal structure prediction can thus play a central part in the design of new …
The k-centre problem for classes of cyclic words
The problem of finding k uniformly spaced points (centres) within a metric space is well
known as the k-centre selection problem. In this paper, we introduce the challenge of k …
known as the k-centre selection problem. In this paper, we introduce the challenge of k …
Structural and combinatorial properties of 2-swap word permutation graphs
In this paper, we study the graph induced by the 2-swap permutation on words with a fixed
Parikh vector. A 2-swap is defined as a pair of positions s=(i, j) where the word w induced by …
Parikh vector. A 2-swap is defined as a pair of positions s=(i, j) where the word w induced by …
Geometric Optimisation of Crystal Structures: Foundations and Algorithmic Approaches
A Tsili - 2024 - livrepository.liverpool.ac.uk
The focus of this thesis is to explore the geometric optimisation of crystal structures through
an algorithmic lens. As a high-level description, this optimisation problem constitutes the …
an algorithmic lens. As a high-level description, this optimisation problem constitutes the …
The k-Centre Problem for Classes of Cyclic Words
I Potapov - SOFSEM 2023: Theory and Practice of Computer … - Springer
The problem of finding k uniformly spaced points (centres) within a metric space is well
known as the k-centre selection problem. In this paper, we introduce the challenge of k …
known as the k-centre selection problem. In this paper, we introduce the challenge of k …