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At present, the task of searching for compounds with a high superconducting transition temperature is a very relevant scientific direction. Usually, the calculation of is carried out by numerically solving the system of Eliashberg…
We present an algorithm for computing melting points by autonomously learning from coexistence simulations in the NPT ensemble. Given the interatomic interaction model, the method makes decisions regarding the number of atoms and…
The paper illustrates an application of the Resampling approach [2] for the estimation of the aircraft circulation plan reliability. Resampling is an intensive computer statistical method, which can be used effectively in the case of small…
This contribution is devoted to cover some technical aspects related to the use of the recently proposed energy probability distribution zeros in the study of phase transitions. This method is based on the partial knowledge of the partition…
A novel method is presented to compute the exit time for the stochastic simulation algorithm. The method is based on the addition of a series of random variables and is derived using the convolution theorem. The final distribution is…
Transient phenomena are interesting and potentially highly revealing of details about the processes under observation and study that could otherwise go unnoticed. It is therefore important to maximize the sensitivity of the method used to…
In this introductory review, we focus on applications of quantum computation to problems of interest in physics and chemistry. We describe quantum simulation algorithms that have been developed for electronic-structure problems,…
Precise temperature measurements on systems of few ultracold atoms is of paramount importance in quantum technologies, but can be very resource-intensive. Here, we put forward an adaptive Bayesian framework that substantially boosts the…
The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynamic evolution of electronic polarizability, requiring the use…
Astronomical transients are stellar objects that become temporarily brighter on various timescales and have led to some of the most significant discoveries in cosmology and astronomy. Some of these transients are the explosive deaths of…
The design of an Airwatch type space mission can greatly benefit from a flexible simulation code for establishing the values of the main parameters of the experiment. We present here a code written for this purpose. The cosmic ray primary…
A scarcity of known chemical kinetic parameters leads to the use of many reaction rate estimates, which are not always sufficiently accurate, in the construction of detailed kinetic models. To reduce the reliance on these estimates and…
The detection of change points is a pivotal task in statistical analysis. In the quantum realm, it is a new primitive where one aims at identifying the point where a source that supposedly prepares a sequence of particles in identical…
We suggest a new algorithm to remove systematic effects in a large set of lightcurves obtained by a photometric survey. The algorithm can remove systematic effects, like the ones associated with atmospheric extinction, detector efficiency,…
Motivated by an example from remote sensing of gas emission sources, we derive two novel change point procedures for multivariate time series where, in contrast to classical change point literature, the changes are not required to be…
It has been previously shown that moons of extrasolar planets may be detectable with the Kepler Mission, for moon masses above ~0.2 Earth masses Kipping et al. 2009c. Transit timing effects have been formerly identified as a potent tool to…
Software products nova.astrometry.net, SExtractor and Aladin are shown to be used for searching for transient phenomena in series of photometric images. An algorithm for taking into account atmospheric distortions introduced into images…
Calculating transition probabilities between different states of multistable climate tipping systems is computationally challenging in high-dimensional models. Targeted algorithms, such as the Trajectory-Adaptive Multilevel Splitting (TAMS)…
In efforts to determine phase transitions in the disintegration of highly excited heavy nuclei, a popular practice is to parametrise the yields of isotopes as a function of temperature in the form $Y(z)=z^{-\tau}f(z^{\sigma}(T-T_0))$, where…
The success of high energy physics programs relies heavily on accurate detector simulations and beam interaction modeling. The increasingly complex detector geometries and beam dynamics require sophisticated techniques in order to meet the…