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Gaining control of the building blocks of magnetic materials and thereby achieving particular characteristics will make possible the design and growth of bespoke magnetic devices. While progress in the synthesis of molecular materials, and…
Symmetry classification of crystal structures has been central to predicting physical properties of materials. While such structural classification identifies which physical responses are symmetry-allowed, the magnitudes of these responses…
A thermodynamic argument has been developed which relates the chirality of the constituents of a mixture of enantiomers to the system excess volume, and thereby to its Gibbs free enthalpy. A specific connection is shown between the excess…
The non-equilibrium dynamics of individual chiral active particles underpin the complex behavior of chiral active matter. Here we present an exact analytical framework, supported by simulations, to characterize the steady states of…
Chirality pervades natural processes from the atomic to the cosmic scales, crucially impacting molecular chemistry and pharmaceutics. Traditional chirality sensing methods face challenges in sensitivity and efficiency, prompting the quest…
Chirality is known to play a central role in the properties of many physical systems across a wide range of spatial and temporal scales. Chemical and optical properties of materials are only two of the many examples where transformation…
This dissertation presents a systematic theoretical investigation into realizing a condensed matter analogue of the Chiral Magnetic Effect (CME) in a quasi-planar, 2+1D system. The research establishes a conceptual bridge between the…
The concept of chirality makes ubiquitous appearance in nature. Particularly, both a structure and its collective excitations may acquire well defined chiralities. In this work, we reveal an intrinsic connection between the chiralities of a…
Motivated by new capabilities to realise artificial gauge fields in ultracold atomic systems, and by their potential to access correlated topological phases in lattice systems, we present a new strategy for designing topologically…
We present a symmetry-based exhaustive approach to explore the structural and compositional richness of two-dimensional materials. We use a ``combinatorial engine'' that constructs potential compounds by occupying all possible Wyckoff…
Alchemical perturbation density functional theory has been shown to be an efficient and computationally inexpensive way to explore chemical compound space. We investigate approximations made, in terms of atomic basis sets and perturbation…
Electrides are exotic compounds in which excess electrons occupy interstitial regions of the crystal lattice and serve as anions, exhibiting exceptional properties such as low work function, high electron mobility, and strong catalytic…
Our curiosity-driven desire to "see" chemical bonds dates back at least one-hundred years, perhaps to antiquity. Sweeping improvements in the accuracy of measured and predicted electron charge densities, alongside our largely bondcentric…
Chirality is a ubiquitous phenomenon in which a symmetry between left- and right-handed objects is broken, examples in nature ranging from subatomic particles and molecules to living organisms. In particle physics, the weak force is…
The emergence of deep learning has brought the long-standing goal of comprehensively understanding and exploring crystalline materials closer to reality. Yet, universal exploration across all elements remains hindered by the combinatorial…
Long range order and symmetry in heterogeneous materials architected on crystal lattices lead to elastic and inelastic anisotropies and thus limit mechanical functionalities in particular crystallographic directions. Here, we present a…
Chirality is a pervasive form of symmetry that is intimately connected to the physical properties of solids, as well as the chemical and biological activity of molecular systems. However, its control with light is challenging, because…
An expression for the lattice effective action induced by chiral fermions in any even dimensions in terms of an overlap of two states is shown to have promising properties in two and four dimensions: The correct abelian anomaly is…
We consider an experimentally realizable model of non-interacting but randomly coupled atoms in a two-dimensional optical lattice. By choosing appropriate real or complex-valued random fields and species-dependent energy offsets, this…
Achieving intrinsic optical chirality requires breaking all mirror symmetries of an object, and maximum chirality, which allows interaction with only one helicity of light, is particularly promising for applications such as chiral sensing,…