Related papers: MAP: an MP2 accuracy predictor for weak interactio…
Predicting the effects of physical perturbations on optical channels is critical for advanced photonic devices, but existing modelling techniques are often computationally intensive or require exhaustive characterisation. We present a novel…
The adaptive Thouless--Anderson--Palmer (TAP) mean-field approximation is one of the advanced mean-field approaches, and it is known as a powerful accurate method for Markov random fields (MRFs) with quadratic interactions (pairwise MRFs).…
Second order Moeller-Plesset perturbation theory (MP2) at the complete basis set (CBS) limit and diffusion quantum Monte Carlo (DMC) are used to examine several low energy isomers of the water hexamer. Both approaches predict the so-called…
We present here a new MC study of ISB at finite temperature in a $Z_2\times Z_2$ $\lambda\phi^4$ model in four dimensions. The results of our simulations, even if not conclusive, are favourable to ISB. Detection of the effect required…
Summary: We present several recent improvements to minimap2, a versatile pairwise aligner for nucleotide sequences. Now minimap2 v2.22 can more accurately map long reads to highly repetitive regions and align through insertions or deletions…
Achieving kJ/mol accuracy in the cohesive energy of molecular crystals, as necessary for crystal structure prediction and the resolution of polymorphism, is an ongoing challenge in computational materials science. Here, we evaluate the…
We use the Van Vleck-Primas perturbation theory to study the problem of parallel transport of the eigenvectors of a parameter-dependent Hamiltonian. The perturbative approach allows us to define a non-Abelian connection $\mathcal{A}$ that…
For a Coupled Map Lattice with a specific strong coupling emulating Stavskaya's probabilistic cellular automata, we prove the existence of a phase transition using a Peierls argument, and exponential convergence to the invariant measures…
We have applied so-called `optimised' perturbation theory to resolve the renormalisation-scale (mu) ambiguity of exact O(alpha_s^2) QCD calculations of event shape observables in e+e- --> hadrons. We fitted the optimised predictions for 15…
Quantum phase transitions (QPTs) and the ground-state phase diagram of the spin-1/2 Heisenberg-Ising alternating chain (HIAC) with uniform Dzyaloshinskii-Moriya (DM) interaction are investigated by a matrix-product-state (MPS) method. By…
The PARAFAC2 is a multimodal factor analysis model suitable for analyzing multi-way data when one of the modes has incomparable observation units, for example because of differences in signal sampling or batch sizes. A fully probabilistic…
In this paper, we investigate the joint device activity and data detection in massive machine-type communications (mMTC) with a one-phase non-coherent scheme, where data bits are embedded in the pilot sequences and the base station…
Harmonic model predictive control (HMPC) is a recent model predictive control (MPC) formulation for tracking piece-wise constant references that includes a parameterized artificial harmonic reference as a decision variable, resulting in an…
Predicting electronic band structures from crystal structures is crucial for understanding structure-property correlations in materials science. First-principles approaches are accurate but computationally intensive. Recent years, machine…
Being a determination at low energies, the analysis of hadronic tau decay data provides a rather precise determination of the strong coupling alpha_s after evolving the result to M_Z. At such a level of precision, even small…
In Model Predictive Control (MPC), discrepancies between the actual system and the predictive model can lead to substantial tracking errors and significantly degrade performance and reliability. While such discrepancies can be alleviated…
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to determine the ground state. M\o{}ller-Plesset (MP-$n$, with…
This work reports a theoretical framework that combines the auxiliary coherent potential approximation (ACPA-DMFT) with dynamical mean-field theory to study strongly correlated and disordered electronic systems with both diagonal and…
We present details and expand on the framework leading to the recently introduced degenerate adiabatic perturbation theory [Phys. Rev. Lett. 104, 170406 (2010)], and on the formulation of the degenerate adiabatic theorem, along with its…
We develop a general framework for identifying phase reduced equations for finite populations of coupled oscillators that is valid far beyond the weak coupling approximation. This strategy represents a general extension of the theory from…