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The minimum energy path (MEP) is the most probable transition path that connects two equilibrium states of a potential energy landscape. It has been widely used to study transition mechanisms as well as transition rates in the fields of…
Coupling is a widely used technique in the theoretical study of interacting stochastic processes. In this paper I present an example demonstrating its usefulness also in the efficient computer simulation of such processes. I first describe…
Chemical reactions can be surprisingly efficient at ultracold temperatures ( < 1mK) due to the wave nature of atoms and molecules. The study of reactions in the ultracold regime is a new research frontier enabled by cooling and trapping…
We show how the entanglement of two atoms, trapped in distant separate cavities, can be generated with arbitrarily high probability of success. The scheme proposed employs sudden excitation of the atoms proving that the weakly driven…
We propose a scheme to generate a superposition with arbitrary coefficients on a line in phase space for the center-of-mass vibrational mode of N ions by means of isolating all other spectator vibrational modes from the center-of-mass mode.…
A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computational efforts and an environment that is treated at a lower…
Projected entangled pair states (PEPS) on finite two-dimensional lattices are a natural ansatz for representing ground states of local many-body Hamiltonians, as they inherently satisfy the boundary law of entanglement entropy. In this…
Ab initio atomic relaxations often take large numbers of steps and long times to converge. An atomic relaxation method based on on-the-flight force learning and a corresponding new curved line minimization algorithm is presented to…
Recently there has been increased interest in combining the fields of Model-Driven Engineering (MDE) and Search-Based Software Engineering (SBSE). Such approaches use meta-heuristic search guided by search operators (model mutators and…
We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This…
A first-principles based methodology for efficiently and accurately finding thermodynamically stable and metastable atomic structures is introduced and benchmarked. The approach is demonstrated for gas-phase metal-oxide clusters in…
Entangled states are a crucial resource for quantum-based technologies such as quantum computers and quantum communication systems (1,2). Exploring new methods for entanglement generation is important for diversifying and eventually…
We show how techniques from machine learning and optimization can be used to find circuits of photonic quantum computers that perform a desired transformation between input and output states. In the simplest case of a single input state,…
We present a new application of the Generator Coordinate Method (GCM) as an electronic structure method for strong electron correlation in molecular systems. We identify spin fluctuations as an important generator coordinate responsible for…
The schemes proposed by S. Bose et al [Phys. Rev. Lett. 83, 5158 (1999)] and others for long distance atomic teleportation using cavity decay, gives message state dependent fidelity on successful attempt and in case of failure message state…
Single-photon sources that emit photons at the same energy play a key role in the emerging concepts of quantum information, such as entanglement swapping, quantum teleportation and quantum networks. They can be realized in a variety of…
All the three point couplings involving tachyons and/or discrete states are obtained in $c=1$ two-dimensional (2-D) quantum gravity by means of the operator product expansion (OPE). Cocycle factors are found to be necessary in order to…
In the molecular quantum chemistry community, coupled-cluster (CC) methods are well-recognized for their systematic convergence and reliability. The extension of the theory to extended systems has been comparably recent, so that…
Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developing models for interface and grain boundary structures. In…
In mergoassociation, two atoms in separate optical traps are combined to form a molecule when the traps are merged. Previous theoretical treatments have considered only the relative motion of the atoms, neglecting coupling to the motion of…