40 citations · 137 across the 18 of their papers we have counts for
18 papers
Adaptive tuning of Hamiltonian Monte Carlo methods
Elena Akhmatskaya, Lorenzo Nagar, Jose Antonio Carrillo +4
With the recently increased interest in probabilistic models, the efficiency of an underlying sampler becomes a crucial consideration. Hamiltonian Monte Carlo (HMC) is one popular…
Reducing model complexity by means of the Optimal Scaling: Population Balance Model for latex particles morphology formation
Simone Rusconi, Christina Schenk, Arghir Zarnescu +1
Rational computer-aided design of multiphase polymer materials is vital for rapid progress in many important applications, such as: diagnostic tests, drug delivery, coatings, addit…
Timing the moment when atom decays (and Schroedinger's cat dies)
D. Sokolovski, A. Uranga, E. Akhmatskaya
We propose detecting the moment an atom emits a photon by means of a nearly classical macroscopic clock and discuss its viability. It is shown that what happens in such a measureme…
Adaptive multi-stage integration schemes for Hamiltonian Monte Carlo
Lorenzo Nagar, Mario Fernández-Pendás, Jesús María Sanz-Serna +1
Hamiltonian Monte Carlo (HMC) is a powerful tool for Bayesian statistical inference due to its potential to rapidly explore high dimensional state space, avoiding the random walk b…
Compartmental Disease Models with Time-Varying Transmission Rates: A Bayesian Generalized Hamiltonian Monte Carlo framework with Applications to COVID-19
Hristo Inouzhe, María Xosé Rodríguez-Álvarez, Lorenzo Nagar +1
Epidemic transmission is shaped by changing behaviour, interventions, and unobserved factors, while incidence data are noisy and incomplete. We develop a Bayesian statistical-mecha…
Numerical Regge pole analysis of resonance structures in state-to-state reactive differential cross sections
E. Akhmatskaya, D. Sokolovski
This is the third (and the last) code in a collection of three programs [Sokolovski et al (2011), Akhmatskaya et al (2014)] dedicated to the analysis of numerical data, obtained in…
Wigner's friends, tunnelling times and Feynman's "only mystery of quantum mechanics"
D. Sokolovski, E. Akhmatskaya
Recent developments in elementary quantum mechanics have seen a number of extraordinary claims regarding quantum behaviour, and even questioning internal consistency of the theory.…
Tunnelling times, Larmor clock,and the elephant in the room
D. Sokolovski, E. Akhmatskaya
A controversy surrounding the "tunnelling time problem" stems from the seeming inability of quantum mechanics to provide, in the usual way, a definition of the duration a particle…
An optimal scaling to computationally tractable dimensionless models: Study of latex particles morphology formation
Simone Rusconi, Denys Dutykh, Arghir Zarnescu +2
In modelling of chemical, physical or biological systems it may occur that the coefficients, multiplying various terms in the equation of interest, differ greatly in magnitude, if…
Multi-stage splitting integrators for sampling with modified Hamiltonian Monte Carlo methods
Tijana Radivojević, Mario Fernández-Pendás, Jesús María Sanz-Serna +1
Modified Hamiltonian Monte Carlo (MHMC) methods combine the ideas behind two popular sampling approaches: Hamiltonian Monte Carlo (HMC) and importance sampling. As in the HMC case,…
Modified Hamiltonian Monte Carlo for Bayesian inference
Tijana Radivojević, Elena Akhmatskaya
The Hamiltonian Monte Carlo (HMC) method has been recognized as a powerful sampling tool in computational statistics. We show that performance of HMC can be significantly improved…
An even simpler understanding of quantum weak values
D. Sokolovski, E. Akhmatskaya
We explain the properties and clarify the meaning of quantum weak values using only the basic notions of elementary quantum mechanics.
Enhancing sampling in atomistic simulations of solid state materials for batteries: a focus on olivine NaFePO4
Bruno Escribano, Ariel Lozano, Tijana Radivojevic +3
The study of ion transport in electrochemically active materials for energy storage systems requires simulations on quantum- atomistic- and mesoscales. The methods accessing these…
Continuous fuzzy measurement on two-level systems revisited
D. Sokolovski, S. Rusconi, S. Brouard +1
Imposing restrictions on the Feynman paths of the monitored system has in the past been proposed as a universal model-free approach to continuous quantum measurements. Here we revi…
Adaptive multi-stage integrators for optimal energy conservation in molecular simulations
Mario Fernández-Pendás, Elena Akhmatskaya, J. M. Sanz-Serna
We introduce a new Adaptive Integration Approach (AIA) to be used in a wide range of molecular simulations. Given a simulation problem and a step size, the method automatically cho…
Non-Markovian effects in the growth of a polymer chain
D. Sokolovski, S. Rusconi, E. Akhmatskaya +1
Using a simple exactly solvable model, we show that event-dependent time delays may lead to significant non-Poisson effects in the statistics of polymer chain growth. The results a…
Interference mechanism of seemingly superluminal tunnelling
D. Sokolovski, E. Akhmatskaya
Apparently 'superluminal' transmission, e.g., in quantum tunnelling and its variants, occurs via a subtle interference mechanism which allows reconstruction of the entire spacial s…
Classification of resonance Regge trajectories and a modified Mulholland formula
D. Sokolovski, E. Akhmatskaya
We employ a simple potential model to analyse the effects which a Regge trajectory, correlating with a bound or a metastable state at zero angular momentum, has on an integral cros…