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Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of applications in biomolecular modeling and drug discovery, from…
In a Euclidean space functional integral treatment of the free energy of QCD, a chemical potential enters only through the functional determinant of the Dirac operator which for any flavor is $\dslash + m - \mu_f \gamma_0$ (where $\mu_f$ is…
A system of ${N_{osc}}$ charged oscillators interacting with the electromagnetic field, spatially confined in a 3D lattice of sub-wavelength dimension, can condense into a superradiant coherent state if appropriate density and frequency…
In this paper we discuss various potentials related to the Riemann zeta function and the Riemann Xi function. These potentials are modified versions of Morse potentials and can also be related to modified forms of the radial harmonic…
In kernel methods, temporal information on the data is commonly included by using time-delayed embeddings as inputs. Recently, an alternative formulation was proposed by defining a gamma-filter explicitly in a reproducing kernel Hilbert…
A method for deriving quantum kinetic equations with initial correlations is developed on the basis of the nonequilibrium Green's function formalism. The method is applicable to a wide range of correlated initial states described by…
Methods to manipulate the individual constituents of an ultracold quantum gas mixture are essential tools for a number of applications, for example the direct quantum simulation of impurity physics. We investigate a scheme in which…
A new method is proposed for fitting non-relativistic binary-scattering data and for extracting the parameters of possible quantum resonances in the compound system that is formed during the collision. The method combines the well-known…
A theoretical study of the variation of thermodynamic and transport properties of calamitic liquid crystals across the isotropic-nematic phase transition is carried out by calculating the {\it wavenumber (k) and time (t)} dependent…
A mixed quantum-classical approach is introduced which allows the dynamical response of molecules driven far from equilibrium to be modeled. This method is applied to the interaction of molecules with intense, short-duration laser pulses.…
A computational theory for classification of natural biosonar targets is developed based on the properties of an example stimulus ensemble. An extensive set of echoes (84 800) from four different foliages was transcribed into a spike code…
We study the dynamics of the chiral phase transition at finite chemical potential in the Gross-Neveu model in the leading order in large-N approximation. We consider evolutions starting in local thermal equilibrium in the massless unbroken…
Due to their iconic linearly vanishing density of states near the zero-energy, half-filled two-dimensional Dirac materials in flat Euclidean and negatively-curved hyperbolic spaces exhibit dynamic mass generation only once a critical…
While there have been many developments in computational probes of both strongly-correlated molecular systems and machine-learning accelerated molecular dynamics, there remains a significant gap in capabilities in simulating accurate…
We address the efficient computation of power-law-based interaction potentials of homogeneous $d$-dimensional bodies with an infinite $n$-dimensional array of copies, including their higher-order derivatives. This problem forms a serious…
Control over physical systems at the quantum level is a goal shared by scientists in fields as diverse as metrology, information processing, simulation and chemistry. For trapped atomic ions, the quantized motional and internal degrees of…
This work presents a theoretical and numerical study of electrokinetic flow and the zeta potential for the case of slit channels with nanoscale roughness of dimensions comparable to the Debye length, by employing molecular dynamics…
We propose a scalable quantum-computing architecture based on cold atoms confined to sites of a tight optical lattice. The lattice is placed in a non-uniform magnetic field and the resulting Zeeman sublevels define qubit states. Microwave…
Molecular communication is set to play an important role in the design of complex biological and chemical systems. An important class of molecular communication systems is based on the timing channel, where information is encoded in the…
A chiral random matrix model with complex eigenvalues is solved as an effective model for QCD with non-vanishing chemical potential. We derive new matrix model correlation functions which predict the local fluctuations of complex Dirac…