Related papers: Parameterizing Intersecting Surfaces via Invariant…
Pairwise models like the Ising model or the generalized Potts model have found many successful applications in fields like physics, biology, and economics. Closely connected is the problem of inverse statistical mechanics, where the goal is…
Hybridization of highly itinerant Dirac electrons with localized flat-band states is predicted to yield emergent phenomena such as exotic heavy-fermion behaviour. Epitaxial graphene on two-dimensional adsorbate structures on SiC(0001),…
We introduce a spatial graph and hypergraph model that smoothly interpolates between a graph with purely pairwise edges and a graph where all connections are in large hyperedges. The key component is a spatial clustering resolution…
We compute ionic free energy adsorption profiles at aqueous graphene interface by developing a self-consistent approach. To do so, we design a microscopic model for water and put the liquid on an equal footing with the graphene described by…
This paper describes an interdisciplinary approach to geometry modeling of geospatial boundaries. The objective is to extract surfaces from irregular spatial patterns using differential geometry and obtain coherent directional predictions…
Precise characterization of the graphene/water interface has been hindered by experimental inconsistencies and limited molecular-level access to interfacial structures. In this work, we present a novel integrated computational approach that…
Functionals that penalize bending or stretching of a surface play a key role in geometric and scientific computing, but to date have ignored a very basic requirement: in many situations, surfaces must not pass through themselves or each…
A method of modelling the three-dimensional microstructure of random isotropic two-phase materials is proposed. The information required to implement the technique can be obtained from two-dimensional images of the microstructure. The…
The excited states of polyatomic systems are rather complex, and often exhibit meta-stable dynamical behaviors. Static analysis of reaction pathway often fails to sufficiently characterize excited state motions due to their highly…
In the previous paper of this series [D. P. Varn, G. S. Canright, and J. P. Crutchfield, Physical Review B, submitted] we detailed a procedure--epsilon-machine spectral reconstruction--to discover and analyze patterns and disorder in…
The need to compute the intersections between a line and a high-order curve or surface arises in a large number of finite element applications. Such intersection problems are easy to formulate but hard to solve robustly. We introduce a…
This work analyzes monolayer graphene in external electromagnetic fields, which is described by the Dirac equation with minimal coupling. Supersymmetric quantum mechanics allows building new Dirac equations with modified magnetic fields.…
Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, ab initio simulations can in principle predict the structure…
We propose a model for surfaces in mixtures of oil, water and surfactants with strong electric dipoles. The dipole interactions give rise to a non-local interaction with negative stiffness between surface elements. We show that, for large…
This paper is devoted to the inverse design of strained graphene surfaces for the control of electrons in the semi-classical optical-like regime. Assuming that charge carriers are described by the Dirac equation in curved-space and…
A coherent state technique is used to generate an Interacting Boson Model (IBM) Hamiltonian energy surface that simulates a mean field energy surface. The method presented here has some significant advantages over previous work.…
Optical surfaces represented by second-degree polynomials (quadratic or conics) are ubiquitous in optics. We revisit the equations of the conic shapes in the context of grazing incidence optics, gathering together the curves commonly used…
The accurate quantum chemical calculation of excited states is a challenging task, often requiring computationally demanding methods. When entire ground and excited potential energy surfaces (PESs) are desired, e.g., to predict the…
Moir\'e superlattices in two-dimensional materials provide a versatile platform to explore strongly correlated and topological phases. This work presents a practical theoretical workflow for studying the correlated and topological states in…
Phenomenological theories of interfacial interactions have targeted terrestrial applications since long time and their exploitation has inspired our research programme to build up a macroscopic theory of gas-surface interactions targeting…