Related papers: N-representable one-electron reduced density matri…
Dual-energy computed tomography (DECT) is a promising technology that has shown a number of clinical advantages over conventional X-ray CT, such as improved material identification, artifact suppression, etc. For proton therapy treatment…
In this work, we introduce an original self-consistent scheme based on the one-body reduced density matrix ($\gamma$) formalism. A significant feature of this methodology is the utilization of an optimal unitary transformation of the…
We introduce the EMC algorithm for reconstructing a particle's 3D diffraction intensity from very many photon shot-noise limited 2D measurements, when the particle orientation in each measurement is unknown. The algorithm combines a…
State-of-the-art many-body wave function techniques rely on heuristics to achieve high accuracy at an attainable cost to solve the many-body Schr\"odinger equation. By far the most common property used to assess accuracy has been the total…
The technique of non-redundant masking (NRM) transforms a conventional telescope into an interferometric array. In practice, this provides a much better constrained point spread function than a filled aperture and thus higher resolution…
Determining the three-dimensional structure of proteins and protein complexes at atomic resolution is a fundamental task in structural biology. Over the last decade, remarkable progress has been made using "single particle" cryo-electron…
In material testing applications, Computed Tomography is a well established imaging technique that allows the recovery of the attenuation map of an object. Conventional modalities exploit only primary radiation and although in the energy…
Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence,connectivity and gate…
Single particle cryo-electron microscopy (EM) is an increasingly popular method for determining the 3-D structure of macromolecules from noisy 2-D images of single macromolecules whose orientations and positions are random and unknown. One…
Low-dose computed tomography (LDCT) reduces patient radiation exposure but introduces substantial noise that degrades image quality and hinders diagnostic accuracy. Existing denoising approaches often require many diffusion steps, limiting…
Cryogenic electron microscopy (cryo-EM) provides a unique opportunity to study the structural heterogeneity of biomolecules. Being able to explain this heterogeneity with atomic models would help our understanding of their functional…
We investigate fully self-consistent multiscale quantum-classical algorithms on current generation superconducting quantum computers, in a unified approach to tackle the correlated electronic structure of large systems in both quantum…
Deconvolving COMPTEL gamma-ray data into images presents a major methodological challenge. We developed a new algorithm called Multiresolution Regularized Expectation Maximization (MREM), which explicitly accounts for spatial correlations…
We improve the density-matrix renormalization group (DMRG) evaluation of the Kubo formula for the zero-temperature linear conductance of one-dimensional correlated systems.The dynamical DMRG is used to compute the linear response of a…
Reconstruction of a quantum state is of prime importance for quantum-information science. Specifically, means of efficient determination of a state of atoms of room-temperature vapor may enable applications in quantum computations and…
Magnetic Particle Imaging (MPI) is a tomographic imaging modality capable of real-time, high-sensitivity mapping of superparamagnetic iron oxide nanoparticles. Model-based image reconstruction provides an alternative to conventional methods…
Incoherent k-space undersampling and deep learning-based reconstruction methods have shown great success in accelerating MRI. However, the performance of most previous methods will degrade dramatically under high acceleration factors, e.g.,…
The reduced density matrix (RDM) plays a key role in quantum entanglement and measurement, as it allows the extraction of almost all physical quantities related to the reduced degrees of freedom. However, restricted by the degrees of…
Single-particle electron cryomicroscopy is an essential tool for high-resolution 3D reconstruction of proteins and other biological macromolecules. An important challenge in cryo-EM is the reconstruction of non-rigid molecules with parts…
Molecular simulations of a nematic liquid crystal confined in cylinder geometry with homeotropic anchoring have been carried out. The core structure of a disclination line defect of strength +1 has been examined, and comparison made with…