相关论文: Heat-bath Configuration Interaction: An efficient …

The race towards performance increase and computing power has led to chips with heterogeneous and complex designs, integrating an ever-growing number of cores on the same monolithic chip or chiplet silicon die. Higher integration density,…

Haptic interaction is essential for the dynamic dexterity of animals, which seamlessly switch from an impedance to an admittance behaviour using the force feedback from their proprioception. However, this ability is extremely challenging to…

While vibration is a well-used output signal in HCI as part of haptic interaction, vibration outside HCI is used in many other modes to support human performance, from rehabilitation to cognition. In this late breaking work, we present…

This paper extends the previously reported theory of dissipation pathways [J. Chem. Phys. 160, 214111 (2024)] to incorporate off-diagonal subsystem-bath coupling, which is often required to model molecular systems where the environment…

We investigate the dynamics and thermodynamics of a framework composed of interacting units in which parameters (temperatures and energies) assume distinct values due to the contact with distinct (cold and hot) thermal reservoirs. The…

HPC systems expose many configuration parameters that jointly drive competing objectives. Existing tools such as autotuners recommend good configurations but do not identify minimal changes for a near-miss configuration to meet a…

This paper proposes an adaptive admittance controller for improving efficiency and safety in physical human-robot interaction (pHRI) tasks in small-batch manufacturing that involve contact with stiff environments, such as drilling,…

Hybrid model predictive control with both continuous and discrete variables is widely applicable to robotic control tasks, especially those involving contacts with the environment. Due to combinatorial complexity, the solving speed of…

The control of thermal fluxes -- magnitude and direction, in mesoscale and nanoscale electronic circuits can be achieved by means of heat rectification using thermal diodes in two-terminal systems. The rectification coefficient…

We have combined our adaptive configuration interaction (ACI) [J.B. Schriber and F.A. Evangelista, J. Chem. Phys. 144, 161106 (2016)] with a density-fitted implementation of the second-order perturbative multireference driven similarity…

Our recently developed 2+1 (boost-invariant) hydrodynamic model has been presented and used to i) describe the soft hadronic data collected in the central region of the relativistic heavy-ion collisions at RHIC and ii) to make predictions…

The Projected Configuration Interaction (PCI) method starts from a collection of mean-field wave functions, and builds up correlated wave functions of good symmetry. It relies on the Generator Coordinator Method (GCM) techniques, but it…

The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods are used to provide excitation energies, radiative transition data, lifetimes, Lande g-factors, hyperfine interaction constants and…

We propose a scheme to perform the variational principle directly on the coherent pair condensate (VDPC). The result is equivalent to that of the so-called variation after particle-number projection, but now the particle number is always…

A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…

Heat rectifiers would facilitate energy management operations such as cooling, or energy harvesting, but devices of practical interest are still missing. Understanding heat rectification at a fundamental level is key to help us find or…

Quantum coherence inherently affects the dynamics and the performances of a quantum machine. Coherent control can, at least in principle, enhance the work extraction and boost the velocity of evolution in an open quantum system. Using…

We present a Flexible Ansatz for N-body Configuration Interaction (FANCI) that includes any multideterminant wavefunction. This ansatz is a generalization of the Configuration Interaction (CI) wavefunction, where the coefficients are…

The hyperbolic tangent function is usually used as a reliable approximation of the equilibrium density distributions of a system with phase transitions. However, analyzing the accuracies of the numerical derivatives, we find that its…

We apply the Mori-Zwanzig projection operator formalism to obtain an expression for the frequency dependent specific heat c(z) of a liquid. By using an exact transformation formula due to Lebowitz et al., we derive a relation between c(z)…