Related papers: An Efficient Strategy to Generate Atom Connecting …
The Chain-of-states(CoS) methods like nudge elastic band(NEB) method can be used to determine the minimum energy path (MEP) and transition state (TS) between two end local minima. However, the CoS methods are inefficient for difficult cases…
We present a method for the controlled and robust generation of spatial superposition states of single atoms in micro-traps. Using a counter-intuitive positioning sequence for the individual potentials and appropriately chosen trapping…
In real-life applications, most optimization problems are variants of well-known combinatorial optimization problems, including additional constraints to fit with a particular use case. Usually, efficient algorithms to handle a restricted…
We describe a robust and efficient chain-of-states method for computing Minimum Energy Paths~(MEPs) associated to barrier-crossing events in poly-atomic systems. The path is parametrized in terms of a continuous variable $t \in [0,1]$ that…
Generating and distributing remote entangled pairs (EPs) is a primary function of quantum networks, as entanglement is the fundamental resource for key quantum network applications. A critical performance metric for quantum networks is the…
Atomistic-to-Continuum (AtC) coupling methods are a novel means of computing the properties of a discrete crystal structure, such as those containing defects, that combine the accuracy of an atomistic (fully discrete) model with the…
Efficient and reliable identification and optimization of transition state structures is a longstanding challenge in computational chemistry. Popular chain-of-states methods require hundreds if not thousands of ab initio calculations to…
Quantum technologies are built on the power of coherent superposition. Atomic coherence is typically generated from optical coherence, most often via Rabi oscillations. However, canonical coherent states of light create imperfect resources;…
We study the production of low atom number Fock states by reducing suddenly the potential trap in a 1D strongly interacting (Tonks-Girardeau) gas. The fidelity of the Fock state preparation is characterized by the average and variance of…
We describe a technique that enables a strong, coherent coupling between isolated neutral atoms and mesoscopic conductors. The coupling is achieved by exciting atoms trapped above the surface of a superconducting transmission line into…
We present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the coupling of the atomistic and continuum models as a constrained optimization problem with virtual Dirichlet controls on the…
We formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Near the defect core the method employs a potential-based atomistic model, which enables accurate simulation of the…
When the number of strongly correlated electrons becomes larger, the single-reference coupled-cluster (CC) CCSD, CCSDT, etc. hierarchy displays an erratic behavior, while traditional multi-reference approaches may no longer be applicable…
In this paper, we propose a method to build molecular cages designed to capture a specific substrate. We model a cage as a graph of atoms with coordinates in space, and several constraints on their edges (degree, length and angle). We use a…
Pseudopotentials, tight-binding models, and $k\cdot p$ theory have stood for many years as the standard techniques for computing electronic states in crystalline solids. Here we present the first new method in decades, which we call…
A method for generating a mesoscopic superposition state of the collective spin variable of a gas of atoms is proposed. The state consists of a superposition of the atomic spins pointing in two slightly different directions. It is obtained…
Mesoscopic superposition states of photons can be prepared in three cavities interacting with the same two-level atom. By periodically modulating the three cavity frequencies around the transition frequency of the atom with $2\pi/3$ phase…
Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naive Bayes classifier from the machine…
We consider entangled state production utilizing a full optomechanical arrangement, based on which we create entanglement between two far three-level V-type atoms using a quantum repeater protocol. At first, we consider eight identical…
Existing beam contact formulations can be categorized in point contact models that consider a discrete contact force at the closest point of the beams, and line contact models that assume distributed contact forces. In this work, it will be…