Related papers: Quantitative evaluation of nuclear quantum effects…
We study the triangular plaquette model (TPM, also known as the Newman-Moore model) in the presence of a transverse magnetic field on a lattice with periodic boundaries in both spatial dimensions. We consider specifically the approach to…
In this work, we study the damage in crystalline molybdenum material samples due to neutron bombardment in a primary knock-on atom range of 0.5-10 keV at room temperature. We perform machine learned molecular dynamics (MD) simulations with…
NJL-type effective models represent a low-energy realization of QCD and incorporate pertinent aspects such as chiral symmetry and its spontaneous breaking, the center symmetry in the heavy-quark limit as well as the axial anomaly. One such…
Binding free energies are a key element in understanding and predicting the strength of protein--drug interactions. While classical free energy simulations yield good results for many purely organic ligands, drugs including transition metal…
We discuss an effective theory for QCD at finite chemical potential and non-zero temperature, where QCD is reduced to its center degrees of freedom. The effective action can be mapped to a flux representation, where the complex phase…
With the help of quantum mechanics one can formulate a model of associative memory with optimal storage capacity. I generalize this model by introducing a parameter playing the role of an effective temperature. The corresponding…
Explicit results for various quantum thermodynamic function (QTF) of a charged magneto-oscillator coupled to a heat bath at arbitrary temperature are demonstrated in this paper. Discernible expressions for different QTF in the two limits of…
We performed first-principles molecular dynamics calculations for lithium using the projector augmented waves method and the generalized gradient approximation as exchange-correlation energy. The melting curve of lithium was computed using…
Quantum phase transitions have been the subject of intense investigations in the last two decades [1]. Among other problems, these phase transitions are relevant in the study of heavy fermion systems, high temperature superconductors and…
Many researchers have been heavily investigated on quantum phase estimation (QPE) algorithms to find the unknown phase, since QPE is the core building block of the most quantum algorithms such as the Shor's factoring algorithm, quantum…
Quantum thermalization in contemporary quantum devices, in particular quantum computers, has recently attracted significant theoretical interest. Unusual thermalization processes, such as the Quantum Mpemba Effect (QME), have been explored…
Quantum many-body (QMB) systems are generally computationally hard: the computing resources necessary to simulate them exactly can often exceed the existing computation resources by orders of magnitude. For this reason, Richard Feynman…
At low to moderate collision energies where the parton formation time $\tau_F$ is not small compared to the nuclear crossing time, the finite nuclear thickness significantly affects the energy density $\epsilon(t)$ and net conserved-charge…
Nuclear quantum effects play critical roles in a variety of molecular processes, especially in systems that contain hydrogen and other light nuclei, such as water. For water at ambient conditions, nuclear quantum effects are often…
We present computer simulations of a simple bead-spring model for polymer melts with intramolecular barriers. By systematically tuning the strength of the barriers, we investigate their role on the glass transition. Dynamic observables are…
Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…
Quantum computing has attracted the attention of the scientific community in the past few decades. However, despite some relevant advantages, near-term quantum devices remain severely limited by thermal effects, which induce decoherence and…
With the development of electronic structure theory, a new class of materials - quantum ones has been recognized by the community. Traditionally, it has been believed that the properties of such compounds cannot be described within the…
Quantum computers promise to perform computations beyond the reach of modern computers with profound implications for scientific research. Due to remarkable technological advances, small scale devices are now becoming available for use. One…
It has been demonstrated that the critical point of the phase transition in scalar quantum field theory with a quartic interaction in one space dimension can be approximated via a Gaussian Effective Potential (GEP). We discuss how this…