Related papers: Linear scaling electronic structure calculations a…
Classical real-time lattice simulations play an important role in understanding non-equilibrium phenomena in gauge theories and are used in particular to model the prethermal evolution of heavy-ion collisions. Above the Debye scale the…
We present a novel algorithm which can overcome the drawbacks of the conventional linear scaling method with minimal computational overhead. This is achieved by introducing additional constraints, thus eliminating the redundancy of the…
Several cosmological measurements have attained significant levels of maturity and accuracy over the last decade. Continuing this trend, future observations promise measurements of the statistics of the cosmic mass distribution at an…
In quantum field theory, the splitting of the Hamiltonian into a strong and an electromagnetic part cannot be performed in a unique manner. We propose a convention for disentangling these two effects: one matches the parameters of two…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
When dealing with certain kind of complex phenomena the theoretician may face some difficulties -- typically a failure to have access to information for properly characterize the system -- for applying the full power of the standard…
In this article, we explore the inconsistencies in the physics of fermionic oscillators and propose potential solutions to address them. By rigorously deriving the Hamiltonian and Lagrangian from first principles, we aim to provide a…
Efficiently characterizing large quantum states and processes is a central yet notoriously challenging task in quantum information science, as conventional tomography methods typically require resources that grow exponentially with system…
In this paper, we consider a statistical problem of learning a linear model from noisy samples. Existing work has focused on approximating the least squares solution by using leverage-based scores as an importance sampling distribution.…
We show that the computational effort for the numerical solution of fermionic quantum systems, occurring e.g., in quantum chemistry, solid state physics, field theory in principle grows with less than the square of the particle number for…
Linear scaling quantum chemical methods for Density Functional Theory are extended to the condensed phase at the $\Gamma$-point. For the two-electron Coulomb matrix, this is achieved with a tree-code algorithm for fast Coulomb summation [J.…
Computational screening for new and improved catalyst materials relies on accurate and low-cost predictions of key parameters such as adsorption energies. Here, we use recently developed compressed sensing methods to identify descriptors…
Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…
Remarkably accurate fine structure constants are calculated from assumptions further developed from two earlier publications. We have put together a series of energy scales related to various physical phenomena such as the Planck scale, a…
We present high signal-to-noise measurements of the acoustic scale in the presence of nonlinear growth and redshift distortions using 320(Gpc/h)^3 of cosmological PM simulations. Using simple fitting methods, we obtain robust measurements…
We present a brief survey of methods that utilize computer simulations and quantum and statistical mechanics in the analysis of electrochemical systems. The methods, Molecular Dynamics and Monte Carlo simulations and quantum-mechanical…
Recovering dynamical equations from observed noisy data is the central challenge of system identification. We develop a statistical mechanics approach to analyze sparse equation discovery algorithms, which typically balance data fit and…
For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian. This method provides an efficient way to extract the…
Simulation offers a simple and flexible way to estimate the power of a clinical trial when analytic formulae are not available. The computational burden of using simulation has, however, restricted its application to only the simplest of…
Many simulations of stochastic processes require colored noises: I describe here an exact numerical method to simulate power-law noises: the method can be extended to more general colored noises, and is exact for all time steps, even when…