Related papers: Multistate ring polymer instantons and nonadiabati…
This paper studies large deviations of a ``fully coupled" finite state mean-field interacting particle system in a fast varying environment. The empirical measure of the particles evolves in the slow time scale and the random environment…
At the forefront of control techniques is Model Predictive Control (MPC). While MPCs are effective, their requisite to recompute an optimal control given a new state leads to sparse response to the system and may make their implementation…
Membranes in M-theory are expected to interact via splitting and joining processes. We study these effects in the pp-wave matrix model, in which they are associated with transitions between states in sectors built on vacua with different…
Accurate predictions of reactive mixing are critical for many Earth and environmental science problems. To investigate mixing dynamics over time under different scenarios, a high-fidelity, finite-element-based numerical model is built to…
Stimulated Raman Adiabatic Passage (STIRAP) is a widely used method for adiabatic population transfer in a multilevel system. In this work, we study STIRAP under novel conditions and focus on the fractional, F-STIRAP, which is known to…
Multiconfiguration pair-density functional theory (MC-PFDT) has previously been applied successfully to carry out ground-state and excited-state calculations. However, because it includes no interaction between electronic states, MC-PDFT…
Recently the non-perturbative numerical bootstrap method is rapidly developing, especially its application in nonlinear quantum mechanics, many-body physics, lattice models and matrix models. Here we use this numerical bootstrap to study…
We introduce a Path Integral Monte Carlo (PIMC) approach that uses the angular momentum representation for the description of interacting rotor systems. Such a choice of representation allows the calculation of momentum properties without…
We present a general method for calculating R\'enyi entropies in the ground state of a one-dimensional critical system with mixed open boundaries, for an interval starting at one of its ends. In the conformal field theory framework, this…
The topological phases of non-interacting fermions have been classified by their symmetries, culminating in a modern electronic band theory where wavefunction topology can be obtained (in part) from momentum space. Recently, Real Space…
A novel treatment of non-adiabatic couplings is proposed. The derivation starts from the long-known, but not well-known, fact that the wave function of the complete system of elctrons and nuclei can be written, without approximation, as a…
The quantum instanton approximation is a type of quantum transition state theory that calculates the chemical reaction rate using the reactive flux correlation function and its low order derivatives at time zero. Here we present several…
Estimating the ground-state energy of Hamiltonians in quantum systems is an important task. In this work, we demonstrate that the ground-state energy can be accurately estimated without controlled time evolution by using adiabatic state…
Adiabatic Rapid Passage (ARP) is a powerful technique for efficient transfer of population between quantum states. In the lab, the efficiency of ARP is often limited by noise on either the energies of the states or the frequency of the…
Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD). Despite their conceptual…
Microcanonical instanton theory offers the promise of providing rate constants for chemical reactions including quantum tunneling of atoms over the whole temperature range. We discuss different rate expressions, which require the…
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…
Molecular dynamics with electronic friction (MDEF) approach can describe nonadiabatic effects accurately at metal surfaces in the weak nonadiabatic limit. That being said, MDEF treats nuclear motion classically, such that the nuclear…
Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to…
In quantum information processing, quantum cavities play an important role by providing the mechanisms to transfer information between atom qubits and photon qubits, or to couple single atoms with the optical modes of the cavity field. We…