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Information of interest

My major research interest is in the development of numerical methods for modelling and simulation of complex systems. The main features of my research career have been: Work on the interface of Mathematics, Biology, Chemistry, Physics, Computational Statistics and Computer Science 

Broad diapason of research activities from developing theoretical methods and implementing them on high performance, computers to application of software codes for study of important phenomena and processes.

Collaboration with multi-international academic and industrial partners (Oxford University (UK), Imperial College London (UK), St Andrews University (UK), Berkeley Labs (USA), Accelrys Inc. (USA), NAG (UK), POLYMAT (Spain), energiGUNE (Spain), bioGUNE (Spain) among others).

Work experience:

  • Academic: Cornell University, USA; University of Manchester, Imperial College, UK. 
  • Industrial: Fujitsu Centre for Information Technology, UK. Fujitsu Laboratories of Europe, UK.
  • Causality, 'superluminality', and reshaping in undersized waveguides 

    Sokolovski, D.; Akhmatskaya, E.Autoridad BCAM (2012-12-31)
    We analyse the reshaping mechanism leading to apparently 'superluminal' advancement of a pulse traversing an undersized section of a waveguide. For frequencies below the first inelastic threshold (cut off one), there are ...
  • Constant pressure hybrid Monte Carlo simulations in GROMACS 

    Fernández-Pendás, M.; Escribano, B.; Radivojevic, T.; Akhmatskaya, E.Autoridad BCAM (2014-12-31)
    Adaptation and implementation of the Generalized Shadow Hybrid Monte Carlo (GSHMC) method for molecular simulation at constant pressure in the NPT ensemble are discussed. The resulting method, termed NPT-GSHMC, combines ...
  • Hartman effect and weak measurements that are not really weak 

    Sokolovski, D.; Akhmatskaya, E.Autoridad BCAM (2011-12-31)
    We show that in wave packet tunneling, localization of the transmitted particle amounts to a quantum measurement of the delay it experiences in the barrier. With no external degree of freedom involved, the envelope of the ...
  • Impact of competitive processes on controlled radical polymerization 

    Ballard, N.; Rusconi, S.Autoridad BCAM; Akhmatskaya, E.Autoridad BCAM; Sokolovski, D.; de La Cal, J.C.; Asua, J.M. (2014-12-31)
    The kinetics of radical polymerization have been systematically studied for nearly a century and in general are well understood. However, in light of recent developments in controlled radical polymerization many kinetic ...
  • Interference mechanism of seemingly superluminal tunneling 

    Sokolovski, D.; Akhmatskaya, E.Autoridad BCAM (2013-12-31)
    Apparently "superluminal" transmission, e.g., in quantum tunneling and its variants, occurs via a subtle interference mechanism which allows reconstruction of the entire spatial shape of a wave packet from its front tail. ...
  • Modified Hamiltonian Monte Carlo for Bayesian Inference 

    Radivojevic, T.; Akhmatskaya, E.Autoridad BCAM (2019-07-22)
    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 by incorporating importance sampling and ...
  • Multiple-time-stepping generalized hybrid Monte Carlo methods 

    Escribano, B.; Akhmatskaya, E.Autoridad BCAM; Reich, S.; Azpiroz, J.M. (2014-12-31)
    Performance of the generalized shadow hybrid Monte Carlo (GSHMC) method [1], which proved to be superior in sampling efficiency over its predecessors [2-4], molecular dynamics and hybrid Monte Carlo, can be further improved ...
  • Multiscale Modelling and Simulation of Advanced Battery Materials 

    Rincón, M.Autoridad BCAM; García-Daza, F.; Fernández-Pendás, M.; Carrasco, J.; Akhmatskaya, E.Autoridad BCAM (2021)
    Development of efficient strategies for the rational design of materials involved in the production and storage of renewable energy is essential for accelerating the transition to a low-carbon economy. To contribute to ...
  • No Time at the End of the Tunnel 

    Sokolovski, D.; Akhmatskaya, E.Autoridad BCAM (2018-08-21)
    Modern atto-second experiments seek to provide an insight into a long standing question: “how much time does a tunnelling particle spend in the barrier?” Traditionally, quantum theory relates this duration to the delay ...
  • Non-Markovian models of the growth of a polymer chain 

    Sokolovski, D.; Rusconi, S.Autoridad BCAM; Akhmatskaya, E.Autoridad BCAM; Asua, J.M. (2015-12-31)
    Using simple exactly solvable models, we show that event-dependent time delays may lead to significant non-Poisson effects in the statistics of polymer chain growth. The results are confirmed by stochastic simulation of ...
  • Particle Morphology 

    Mercado, Y.R.; Akhmatskaya, E.Autoridad BCAM; Leiza, J.R.; Asua, J.M. (2013-12-31)
    This chapter discusses the morphology of latex particles obtained mainly by (mini)emulsion polymerisation. It describes some applications of these particles, and discusses the factors that influence the particle morphology. ...
  • Reexamination of continuous fuzzy measurement on two-level systems 

    Sokolovski, D.; Rusconi, S.Autoridad BCAM; Brouard, S.; Akhmatskaya, E.Autoridad BCAM (2017-04-10)
    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 revisit this proposition and demonstrate that ...
  • Tunnelling times, Larmor clock, and the elephant in the room 

    Sokolovski, D.; Akhmatskaya, E.Autoridad BCAM (2021-05-11)
    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 is supposed to spend in a given region of ...

More information

  • An Introduction to Monte Carlo methods: Extensions, Variations and Applications of Monte Carlo Method - BCAM & UPV/EHU Courses 2012-2013 (BCAM)
  • Workshop on Dynamical Systems and Applications, Bilbao, Basque Country - Member of Scientific Committee - 10-11-December, 2013
  • 9th American Institute of Mathematical Sciences International Conference on Dynamical Systems and Differential Equations (AIMS 2012), Orlando, USA - Special Session Organizer - 1-5 July, 2012
  • Mini-symposium on Non-linear dynamics applied to biological modelling, Bilbao, Basque Country - Member of Organizing Committee - 09 February, 2012
  • The Second HPC-GA Workshop, Bilbao, Basque Country - Member of Organizing Committee - 11-15 March, 2013
  • Quantum Days in Bilbao IV:  Mathematical Methods in Atomic and Molecular Physics, Bilbao, Spain - Organizer - 15-16 July, 2014
  • 10th American Institute of Mathematical Sciences Conference on Dynamical Systems, Differential Equations and Applications (AIMS 2014), Madrid, Spain - Special Session Organizer - 07-11 July, 2014 
  • The International Conference on Scientific Computation and Differential Equations, SciCADE 2015, Enhanced Sampling Methods, Minisymposium, Potsdam, Germany - Special Session Organizer - 14-18 September, 2015
  • Quantum Days in Bilbao V: Mathematical Methods in Atomic and Molecular Physics - Satellite of QRS XIII, Bilbao, Spain - Organizer - 13-14 July, 2015
  • BCAM - IMUVA Summer School on Uncertainty Quantification for Applied Problems, Bilbao, Basque Country, Spain - Organizer - 4-7 July, 2016
  • 131st European Study Group with Industry (ESGI), Bilbao, Basque Country, Spain - Member of Scientific Committee - 15-19 May, 2017
  • Mini-symposium "Advances in Modelling Multiscale Systems and their Applications", the VIII International Conference on Coupled Problems in Science and Engineering, Coupled 2019, Sitges, Spain - Organizer - 3 June, 2019 - 5 August, 2019
  • International Summer School on Fractional and Other Nonlocal Models, Bilbao, Basque Country, Spain - Organizer - 28-31 May, 2018
  • 150th European Study Group with Industry (ESGI), Bilbao, Basque Country, Spain - Member of Scientific Committee - 21-25 October, 2019