Related papers: Self-consistent GW method: O(N) algorithm for pola…
The {\Lambda}CDM model has long served as a robust and predictive framework for cosmology, successfully explaining a wide range of observations, including the accelerated expansion of the Universe. However, discrepancies in cosmological…
A system using a non-linear multi-swept sine wave system is described which employs a multi-channel, multi-swept orthogonal waves, to separate channels and make multiple, simultaneous online/offline CO2 measurements. An analytic expression…
By merging bottom-up and top-down strategies we tailor graphene's electronic properties within nanometer accuracy, which opens up the possibility to design optical and plasmonic circuitries at will. In a first step, graphene electronic…
The Perdew-Zunger self-interaction correction cures many common problems associated with semilocal density functionals, but suffers from a size-extensivity problem when Kohn-Sham orbitals are used in the correction. Fermi-L\"{o}wdin-orbital…
The combination of two-dimensional materials into heterostructures offers new opportunities for the design of optoelectronic devices with tunable properties. However, computing electronic and optical properties of such systems using…
Detecting continuous nanohertz gravitational waves (GWs) generated by individual close binaries of supermassive black holes (CB-SMBHs) is one of the primary objectives of pulsar timing arrays (PTAs). The detection sensitivity is slated to…
We apply a recently developed quasiparticle self-consistent $GW$ method (QSGW) to Gd, Er, EuN, GdN, ErAs, YbN and GdAs. We show that QSGW combines advantages separately found in conventional $GW$ and LDA+$U$ theory, in a simple and fully…
Structure and thermodynamics of crystalline membranes are characterized by the long wavelength behavior of the normal-normal correlation function G(q). We calculate G(q) by Monte Carlo and Molecular Dynamics simulations for a quasi-harmonic…
We introduce a self-calibration method that can be applied to the intrinsic ellipticity--intrinsic ellipticity (II) and gravitational shear -- intrinsic ellipticity (GI) types of intrinsic alignment of galaxies. The method combines previous…
Recently proposed local self-interaction correction (LSIC) method [Zope, R. R. et al., J. Chem. Phys. 151, 214108 (2019)] is a one-electron self-interaction-correction (SIC) method that uses an iso-orbital indicator to apply the SIC at each…
In the present work, we propose a self-optimization wavelet-learning method (SO-W-LM) with high accuracy and efficiency to compute the equivalent nonlinear thermal conductivity of highly heterogeneous materials with randomly hierarchical…
The ability to align points across two related yet incomparable point clouds (e.g. living in different spaces) plays an important role in machine learning. The Gromov-Wasserstein (GW) framework provides an increasingly popular answer to…
Solute segregation at grain boundaries (GBs) of polycrystals strongly impacts the mechanical properties of metals including strength, fracture, embrittlement, and corrosion. However, the complexity of GB structures and the large chemical…
$\mathtt{StochasticGW}$ is a code for computing accurate Quasi-Particle (QP) energies of molecules and material systems in the GW approximation. $\mathtt{StochasticGW}$ utilizes the stochastic Resolution of the Identity (sROI) technique to…
We propose a new method to measure parameters of SMBHBs as individual resolvable evolving single GWs sources, using the timing data of three or more non-simultaneous pulsars. These parameters include the sky position of the SMBHB and a…
In this work, using the Gaussian Process, we explore the potentiality of future gravitational wave (GW) measurement to probe cosmic opacity through comparing its opacity-free luminosity distance (LD) with the opacity-dependent one from type…
Pulsar timing arrays recently found evidence for a gravitational wave background (GWB), likely the stochastic overlap of GWs from many supermassive black hole binaries. Anticipating a continuous gravitational wave (CW) detection from a…
Single particle energy states as described by nuclear shell model are obtained for doubly magic nuclei using Gnumeric worksheet environment. Numerov method rephrased in matrix form is utilised to solve time-independent Schrodinger equation…
Self-consistent field theory (SCFT) is one of the most widely-used framework in studying the equilibrium phase behaviors of inhomogenous polymers. For liquid crystalline polymeric systems, the main numerical challenges of solving SCFT…
Supercell models are often used to calculate the electronic structure of local perturbations from the ideal periodicity in the bulk or on the surface of a crystal or in wires. When the defect or adsorbent is charged, a jellium counter…