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Hybrid functionals' non-local exchange-correlation potential contains a derivative discontinuity that improves on standard semi-local density functional theory (DFT) band gaps. Moreover, by careful parameterization, hybrid functionals can…

Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…

We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…

Density Functional Theory calculations traditionally suffer from an inherent cubic scaling with respect to the size of the system, making big calculations extremely expensive. This cubic scaling can be avoided by the use of so-called linear…

A holographic duality is proposed relating quantum gravity on dS_D (D-dimensional de Sitter space) to conformal field theory on a single S^{D-1} ((D-1)-sphere), in which bulk de Sitter correlators with points on the boundary are related to…

In an arbitrary unitary 4D CFT we consider a scalar operator \phi, and the operator \phi^2 defined as the lowest dimension scalar which appears in the OPE \phi\times\phi with a nonzero coefficient. Using general considerations of OPE,…

Band alignment between two materials is of fundamental importance for multitude of applications. However, density functional theory (DFT) either underestimates the bandgap - as is the case with local density approximation (LDA) or…

We continue to develop Bootstrability -- a method merging Integrability and Conformal Bootstrap to extract CFT data in integrable conformal gauge theories such as $\mathcal{N}$=4 SYM. In this paper, we consider the 1D defect CFT defined on…

Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered band-gap materials. This promise is contingent upon the…

We use holographic duality to study the entanglement entropy (EE) of Conformal Field Theories (CFTs) in various spacetime dimensions $d$, in the presence of various deformations: a relevant Lorentz scalar operator with constant source, a…

DFT is the numerical implementation of Fourier transform (FT), and it has many forms. Ordinary DFT (ODFT) and symmetric DFT (SDFT) are the two main forms of DFT. The most widely used DFT is ODFT, and the phase spectrum of this form is…

The fuzzy sphere method has enjoyed great success in the study of (2+1)-dimensional unitary conformal field theories (CFTs) by regularizing them as quantum Hall transitions on the sphere. Here, we extend this approach to the Yang-Lee…

We study the problem of constructing a graph Fourier transform (GFT) for directed graphs (digraphs), which decomposes graph signals into different modes of variation with respect to the underlying network. Accordingly, to capture low,…

Recently, a special type of non-conformal line defect, known as thin-shell operator, has played a key role in demonstrating the chaotic nature of the high energy sector in AdS$_3$/CFT$_2$. The chaotic nature was revealed concretely through…

Predictions of observable properties by density-functional theory calculations (DFT) are used increasingly often in experimental condensed-matter physics and materials engineering as data. These predictions are used to analyze recent…

Bosonic sector of d5 gauged supergravity with specific parametrization of full scalar coset is considered (multi-dilaton gravity). Using holographic RG in the form suggested by de Boer-Verlinde-Verlinde the holographic d4 conformal anomaly…

While density functional theory (DFT) is widely applied for its combination of cost and accuracy, corrections (e.g., DFT+U) that improve it are often needed to tackle correlated transition-metal chemistry. In principle, the functional form…

We discuss a variety of codimension-one, non-invertible topological defects in general 3+1d QFTs with a discrete one-form global symmetry. These include condensation defects from higher gauging of the one-form symmetries on a…

We investigate the conformal algebra on the fuzzy sphere, and in particular the generators of translations and special conformal transformations which are emergent symmetries in the infinite IR but are broken along the RG flow. We show how…

A hallmark feature of topologically ordered states of matter is the dependence of ground state degeneracy (GSD) on the topology of the manifold determined by the global shape of the system. Although the topology of a physical system is…