Related papers: Reduced Dynamical Maps in Finite Temperature Vibro…
A conjugate heat transfer (CHT) immersed boundary (IB and CHTIB) method is developed for use with laminar and turbulent flows with low to moderate Reynolds numbers. The method is validated with the canonical flow of two co-annular rotating…
We propose a new method to understand quantum entanglement using the thermo field dynamics (TFD) described by a double Hilbert space. The entanglement states show a quantum-mechanically complicated behavior. Our new method using TFD makes…
The urgent need for reliable simulation tools to match the extreme accuracy needed to control tailored quantum devices highlights the importance of understanding open quantum systems and their modeling. To this end, we compare here the…
Predicting and characterizing phase transitions is crucial for understanding generic physical phenomena such as crystallization, protein folding and others. However, directly observing phase transitions is not always easy, and often one has…
In this work we formulate an efficient method for the description of many-body localized systems in weak contact with thermal environments at temperature $T$. For this purpose we exploit the representation of the system in terms of…
Accurate characterization of the equilibrium distributions of complex molecular systems and their dependence on environmental factors such as temperature is essential for understanding thermodynamic properties and transition mechanisms.…
For any linear system with unreduced dynamics governed by invertible propagators, we derive a closed, time-delayed, linear system for a reduced-dimensional quantity of interest. This method does not target dimensionality reduction: rather,…
A Trotter-Suzuki mapping is used to calculate the finite-temperature properties of the one-dimensional supersymmetric $t-J$ model. This approach allows for the exact calculation of various thermodynamical properties by means of the quantum…
We introduce a method "DMT" for approximating density operators of 1D systems that, when combined with a standard framework for time evolution (TEBD), makes possible simulation of the dynamics of strongly thermalizing systems to arbitrary…
The study of phenomena such as protein folding and conformational changes in molecules is a central theme in chemical physics. Molecular dynamics (MD) simulation is the primary tool for the study of transition processes in biomolecules, but…
This thesis describes several topics related to finite temperature studies of strongly correlated systems: finite temperature density matrix embedding theory (FT-DMET), finite temperature metal-insulator transition, and quantum algorithms…
In the present paper we propose a reduced temperature non-equilibrium model for simulating multicomponent flows with inter-phase heat transfer, diffusion processes (including the viscosity and the heat conduction) and external energy…
A statistical method is derived for the calculation of thermodynamic properties of many-body systems at low temperatures. This method is based on the self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo J. Chem.…
In this paper, Thermofield Dynamics (TFD) is applied to map a quantum optics nonlinear master equation into a Schrodinger-like equation for any arbitrary initial condition. This formalism provides a more efficient way for solving open…
Ultracold atoms offer a unique opportunity to study many-body physics in a clean and well-controlled environment. However, the isolated nature of quantum gases makes it difficult to study transport properties of the system, which are among…
A data-driven framework is presented, that enables the prediction of quantities, either observations or parameters, given sufficient partial data. The framework is illustrated via a computational model of the deposition of Cu in a Chemical…
This paper extends the previously reported theory of dissipation pathways [J. Chem. Phys. 160, 214111 (2024)] to incorporate off-diagonal subsystem-bath coupling, which is often required to model molecular systems where the environment…
We have developed and implemented a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method is based on a carefully designed orbital-free implementation…
Phase-space representations are a family of methods for dynamics of both bosonic and fermionic systems, that work by mapping the system's density matrix to a quasi-probability density and the Liouville-von Neumann equation of the…
Thermofield dynamics has proven to be a very useful theory in high-energy physics, particularly since it permits the treatment of both time- and temperature-dependence on an equal footing. We here show that it also has an excellent…