Related papers: Initial Guesses for Multicomponent Mean-Field Meth…
By considering momentum transfer in the Fermi constraint procedure, the stability of the initial nuclei and fragments produced in heavy-ion collisions can be further improved in the quantum molecular dynamics simulations. The case of the…
Nuclear quantum effects are essential for correctly describing hydrogen-rich materials at high pressures. Superconducting hydrides and ice are prime examples of such systems, requiring the inclusion of lattice anharmonicity and nuclear…
A recently developed dynamical mean-field theory in the iterated perturbation theory approximation was used as a basis for construction of the "first principles" calculation scheme for investigating electronic structure of strongly…
Static self-consistent methods usually allow to determine the most probable fission fragments mass asymmetry. We have applied random neck rupture mechanism to the nuclei in the configuration at the end of fission paths. Fission fragment…
A new particle-based sampling and approximate inference method, based on electrostatics and Newton mechanics principles, is introduced with theoretical ground, algorithm design and experimental validation. This method simulates an…
The complex nature of inertial confinement fusion (ICF) experiments results in a very large number of experimental parameters that are only known with limited reliability. These parameters, combined with the myriad physical models that…
An uncertainty inequality is presented that establishes a lower limit for the product of the variance of the time-averaged intensity of a mode of a quantized electromagnetic field and the degree of its spatial localization. The lower limit…
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given…
For large-scale eigenvalue problems requiring many mutually orthogonal eigenvectors, traditional numerical methods suffer substantial computational and communication costs with limited parallel scalability, primarily due to explicit…
Quantum phase estimation is one of the critical building blocks of quantum computing. For early fault-tolerant quantum devices, it is desirable for a quantum phase estimation algorithm to (1) use a minimal number of ancilla qubits, (2)…
Quantum computing offers a potential for algorithmic speedups for applications, such as large-scale simulations in chemistry and physics. However, these speedups must yield results that are sufficiently accurate to predict realistic…
The standard technique for sub-pixel estimation of atom positions from atomic resolution scanning transmission electron microscopy images relies on fitting intensity maxima or minima with a two-dimensional Gaussian function. While this is a…
We propose a method which we call "Isotropic Entanglement" (IE), that predicts the eigenvalue distribution of quantum many body (spin) systems (QMBS) with generic interactions. We interpolate between two known approximations by matching…
This PhD thesis explores the potential of quantum computing to address computational challenges in high-energy physics (HEP). As the Standard Model (SM) leaves key questions unanswered and no signs of new physics have emerged since the…
A high precision method to determine fusion in the capture of $\alpha$-particles by nuclei is presented. For $\alpha$-capture by $^{40}{\rm Ca}$ and $^{44}{\rm Ca}$, such an approach gives (1) the parameters of the $\alpha$--nucleus…
According to Wick's theorem, the second order self-energy corrections of hadrons in the hot and dense nuclear matter are calculated. Furthermore, the Feynman rules are summarized, and an effective formulation on quantum hadrodynamics at…
Quasi-Newton techniques approximate the Newton step by estimating the Hessian using the so-called secant equations. Some of these methods compute the Hessian using several secant equations but produce non-symmetric updates. Other…
Using quantum systems as sensors or probes has been shown to greatly improve the precision of parameter estimation by exploiting unique quantum features such as entanglement. A major task in quantum sensing is to design the optimal…
Fission fragments' charge and mass distribution is an important input to applications ranging from basic science to energy production or nuclear non-proliferation. In simulations of nucleosynthesis or calculations of superheavy elements,…
We introduce a multicomponent unitary coupled cluster framework for quantum simulations of molecular systems that incorporate both electronic and nuclear quantum effects beyond the Born-Oppenheimer approximation. Using the…