Related papers: Anharmonic phonons via quantum thermal bath simula…
The crystal structure and phonon dynamics of pentacene is computed with the Quasi Harmonic Lattice Dynamics (QHLD) method, based on atom-atom potential. We show that two crystalline phases of pentacene exist, rather similar in thermodynamic…
We study the structural effects produced by the quantization of vibrational degrees of freedom in periodic crystals at zero temperature. To this end we introduce a methodology based on mapping a suitable subspace of the vibrational manifold…
We present a theory of finite-frequency noise in non-equilibrium conductors. It is shown that Non-Markovian correlations are essential to describe the physics of quantum noise. In particular, we show the importance of a correct treatment of…
We generalize a proposal for detecting single phonon transitions in a single nanoelectromechanical system (NEMS) to include the intrinsic anharmonicity of each mechanical oscillator. In this scheme two NEMS oscillators are coupled via a…
We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In…
We study thermal transport in a chain of coupled atoms, which can vibrate in longitudinal as well as transverse directions. The particles interact through anharmonic potentials upto cubic order. The problem is treated quantum mechanically.…
We present a quantum algorithm for calculating the vibronic spectrum of a molecule, a useful but classically hard problem in chemistry. We show several advantages over previous quantum approaches: vibrational anharmonicity is naturally…
We apply the classical field method to simulate the production of correlated atoms during the collision of two Bose-Einstein condensates. Our non-perturbative method includes the effect of quantum noise, and provides for the first time a…
We apply modern techniques from quantum optics and quantum information science to Bose-Einstein Condensates (BECs) in order to study, for the first time, the quantum decoherence of phonons of isolated BECs. In the last few years, major…
We compute the high-frequency emission and absorption noise in a fractional quantum Hall effect (FQHE) sample at arbitrary temperature. We model the edges of the FQHE as chiral Luttinger liquids (LL) and we use the non-equilibrium…
Molecules like water have vibrational modes with a zero-point energy well above room temperature. As a consequence, classical molecular dynamics simulations of their liquids largely underestimate the energy of modes with a higher zero-point…
We investigate the effects of a low frequency (acoustic) phonon bath on the dynamics of a quantum dot modelled as a cascade three-level system. We show that the phonon bath appears to the upper transition of the cascade system as a…
The breakdown of the quasiparticle approximation (QPA) for phonons in strongly anharmonic materials necessitates advanced first-principles frameworks for accurate lattice dynamics and thermal transport predictions. We develop a…
We investigate the structural and thermodynamic properties of high-pressure ice by incorporating quantum anharmonicity at a non-perturbative level. Quantum fluctuations reduce the critical pressure of the phase transition between phase VIII…
External coherent fields can drive quantum materials into non-equilibrium states, revealing exotic properties that are unattainable under equilibrium conditions -- an approach known as ``Floquet engineering.'' While optical lasers have…
The radiative properties of atoms are inherently linked to their surrounding environment. Placing an electromagnetic resonator around atoms can enhance spontaneous emission, as shown by Purcell in the 1940s. This approach is now routinely…
A new formulation is presented to treat thermal and quantum fluctuations around the kaon condensate on the basis of chiral symmetry; separating the zero-mode from the beginning and using the path-integral method, we can formulate the…
Previous studies in quantum information have recognized that specific types of noise can encode information in certain applications. However, the role of noise in Quantum Hypothesis Testing (QHT), traditionally assumed to undermine…
We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…
Based on thermodynamic principles, we derive expressions quantifying the non-harmonic vibrational behavior of materials, which are rigorous yet easily evaluated from experimentally available data for the thermal expansion coefficient and…