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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…
The quantum chemistry community has developed analytic forces for approximate electronic excited states to enable walking on excited state potential energy surfaces (PES). One can thereby computationally characterize excited state minima…
As a two-dimensional planar material with low depth profile, a metasurface can generate non-classical phase distributions for the transmitted and reflected electromagnetic waves at its interface. Thus, it offers more flexibility to control…
Shortcuts to adiabaticity (STA) provide control protocols to guide the dynamics of a quantum system through an adiabatic reference trajectory in an arbitrary prescheduled time. Designing STA proves challenging in complex quantum systems…
The field of metamaterial research revolves around the idea of creating artificial media that interact with light in a way unknown from naturally occurring materials. This is commonly achieved by creating sub-wavelength lattices of…
Metasurfaces based on resonant subwavelength photonic structures enable novel ways of wavefront control and light focusing, underpinning a new generation of flat-optics devices. Recently emerged all-dielectric metasurfaces exhibit…
Multi-stable mechanical structures find cutting-edge applications across various domains due to their reconfigurability, which offers innovative possibilities for engineering and technology advancements. This study explores the emergence of…
The Born-Oppenheimer approximation leads to the counterintuitive result of a vanishing electronic flux density upon vibrational dynamics in the electronic ground state. To circumvent this long known issue, we propose using pairwise…
A quantum impurity attached to an interacting quantum wire gives rise to an array of of new phenomena. Using Bethe Ansatz we solve exactly models describing two geometries of a quantum dot coupled to an interacting quantum wire: a quantum…
We investigate the properties of Floquet states in the vicinity of a conical intersection of quasienergies and work out the consequences of the underlying spatio-temporal symmetries for a driven two-level system coupled to an ohmic heat…
The interplay between structure and dynamics in non-equilibrium steady-state is far from understood. We address this interplay by tracking Brownian Dynamics trajectories of particles in a binary colloid of opposite charges in an external…
We use computer simulations to test a simple idea for mapping between long-time self diffusivities obtained from molecular and Brownian dynamics. The strategy we explore is motivated by the behavior of fluids comprising particles that…
Optical networks composed of interconnected waveguides are a versatile platform to simulate bosonic physical phenomena. Significant work in the non-interacting regime has demonstrated the capabilities of this platform to simulate many…
Sampling from flat energy or density distributions has proven useful in equilibrating complex systems with large energy barriers. Several thermostats and barostats are presented to sample these flat distributions by molecular dynamics.…
We use the effective Hamiltonian that we recently fitted against the first 306 experimentally observed vibronic transitions of NO2 [J. Chem. Phys. 119, 5923 (2003)] to investigate the time domain nonadiabatic dynamics of this molecule on…
Abbreviated Abstract: We study correlated states in a circular and linear-chain configuration of identical two-level atoms containing the energy of a single quasi-resonant photon in the form of a collective excitation, where the collective…
The present status of the mapped interacting boson model studies on nuclear structure is reviewed. With the assumption that the nuclear surface deformation induced by the multi-nucleon dynamics is simulated by bosonic degrees of freedom,…
We show that the nonlinear response of a driven circuit quantum electrodynamics setup displays antiresonant multiphoton transitions, as recently observed in a transmon qubit device. By including photon leaking, we explain the lineshape by a…
Metastability and its relaxation mechanisms challenge our understanding of the stability of quantum many-body systems, revealing a gap between the microscopic dynamics of the individual components and the effective descriptions used for…
Many body models undergoing a quantum phase transition to a broken-symmetry phase that survives up to a critical temperature must possess, in the ordered phase, symmetric as well as non-symmetric eigenstates. We predict, and explicitly show…