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BCAMSevero Ochoa Award

basque center for applied mathematics

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Akhmatskaya, Elena

Dissemination Activities: Presentations

  • 2016-10-27 (Invited talk) First principles based modeling of prospective materials for Sodium-Ion batteries

    Author/s:
    Lozano A., Escribano B., Akhmatskaya E., Carrasco J.
    Place:
    Workshop on Mathematical solutions for Industry: Success stories and perspectives, 27-28 October 2016, Instituto de Ciencias Matemáticas- ICMAT, Madrid, Spain
  • 2016-07-21 (Invited talk) Adaptive two-stage integrators for sampling algorithms based on Hamiltonian dynamics

    Author/s:
    Akhmatskaya E., Fernández-Pendás M., Radivojevic T., Sanz-Serna J.M.
    Place:
    2. ICERM topical workshop “Stochastic numerical algorithms, multiscale modeling and high-dimensional data analytics”, 18-22 July 2016, ICERM, Brown University, Providence, USA
  • 2016-07-07 Hamiltonian Monte Carlo for high dimensional problems

    Author/s:
    Radivojevic T., Akhmatskaya E.
    Place:
    BCAM-IMUVA Summer School on Uncertainty Quantification for Applied Problems, 4-7 July 2016, Bilbao, Spain
  • 2016-06-28 (Plenary talk) Towards an atomistic understanding of Sodium-Ion batteries’ perspectives

    Author/s:
    Akhmatskaya E., Escribano B., Lozano A., Carrasco J.
    Place:
    10th Congress on electronic structure: Principles and applications, ESPA 2016, 28th June – 1st July 2016, Castellon de la Plana, Spain
  • 2016-06-14 First principles based modeling of prospective materials for Sodium-Ion batteries

    Author/s:
    Lozano A., Escribano B., Akhmatskaya E., Katcho N., Carrasco J.
    Place:
    The 19th European Conference on Mathematics for Industry, ESMI 2016, 13-17 June 2016, Santiago de Compostela, Spain
  • 2016-06-09 (Ivited talk) Modelización y simulación en ciencias de la vida y de materiales: desde los polímeros hasta las baterías

    Author/s:
    Lozano A., Escribano B., Akhmatskaya E.
    Place:
    Workshop “Las matemáticas y la innovación en el entorno empresarial”, 9 June 2016, BIC Bizkaia, Basque Country, Spain
  • 2016-05-27 (Invited talk) Prediction of Polymers Particles Morphology Development: Models and Methods

    Author/s:
    Rusconi S., Akhmatskaya E., Dutykh D., Asua J.M., Hamzehlou S.
    Place:
    Fourth International Congress on Multiphysics, Multiscale, and Optimization Problems, BCAM, 26-27 May 2016, Bilbao, Spain
  • 2016-02-04 (Invited talk) Mix & Match Hamiltonian Monte Carlo

    Author/s:
    Akhmatskaya E., Radivojevic T.
    Place:
    Mathematical Perspectives in Biology, 3-5 February 2016, ICMAT, Madrid, Spain
  • 2016-01-05 (Invited talk) Mix & Match Hamiltonian Monte Carlo

    Author/s:
    Akhmatskaya E., Radivoejevic T.
    Place:
    “MSMSki V & Sixth IMS-ISBA Joint Meeting Bayes Comp”, 4-7 January, 2016, Lenzerheide, Switzerland
  • 2015-12-11 (Invited talk) Mathematical Modeling of Chemical Reactions at Basque Center for Applied Mathematics

    Author/s:
    Rusconi S., Akhmatskaya E.
    Place:
    Workshop on Mathematical Technology Transfer: CTA- IMUS-math-in, 11 December 2015, Sevilla, Spain
  • 2015-11-03 (Invited talk) Methods for understanding total cross sections of chemical reactions

    Author/s:
    Sokolovski D., Akhmatskaya E., De Fazio D.
    Place:
    Symposium in honor of Professor A. Lagana “Virtual Environments and Detailed Simulation of Molecular Processes”, 3-4 November 2015, Perugia, Italy
  • 2015-09-15 (Invited talk) Adaptive Multi-scale Integrators with Optimal Energy Conservation

    Author/s:
    Fernández-Pendás M., Akhmatskaya E., Sanz-Serna J.M.
    Place:
    The International Conference on Scientific Computation and Differential Equations, SciCADE 2015, 14-18 September 2015, Potsdam, Germany
  • 2015-09-15 (Invited talk) Employing Modified Hamiltonians for Sampling Enhancement in Statistical Simulation

    Author/s:
    Radivojevic T., Akhmatskaya E.
    Place:
    The International Conference on Scientific Computation and Differential Equations, SciCADE 2015, 14-18 September 2015, Potsdam, Germany
  • 2015-09-06 Atomistic simulations of sodium iron phosphate materials for energy storage applications

    Author/s:
    Lozano A., Escribano B., Akhmatskaya E., Carrasco J.
    Place:
    Psi-k 2015, 6-10 September 2015, San Sebastian, Spain
  • 2015-08-14 (Invited talk) Mathematical Modelling of Polymers Particles Production

    Author/s:
    Rusconi S., Akhmatskaya E., Dutykh D., Sokolovski S., Asua J.M.
    Place:
    The 8th International Congress on Industrial and Applied Mathematics, ICIAM 2015, Mini-symposium: Success Stories of Spanish Industrial Mathematics with Industry, 10-14 August 2015, Beijing, China
  • 2015-08-11 (Invited talk) Mathematical Modelling of Polymers Particles Production

    Author/s:
    Rusconi S., Akhmatskaya E., Dutykh D., Sokolovski D., Asua J.M.
    Place:
    The 8th International Congress on Industrial and Applied Mathematics, ICIAM 2015, Mini-symposium: Particle Systems and Particulate Flows in Environmental, Social and Industrial Applications, ICIAM 2015, Beijing, China
  • 2015-07-16 Efficient sampling in multiscale simulation of sodium iron phosphate materials

    Author/s:
    Escribano B., Lozano A., Akhmatskaya E., Carrasco J.
    Place:
    CECAM-QMD: Next generation quantum based molecular dynamics: challenges and perspectives, 13-17 July, Bremen University, Germany
  • 2015-07-10 (Invited talk) Regge Poles as a Practical Tool: Resonances in State-to-sate Integral Cross Sections of the F+HD-> HF+D Reaction

    Author/s:
    Sokolovski D., Akhmatskaya E., De Fazio D.
    Place:
    Quantum Reactive Scattering XIII, QRS XIII, July 6th-10th 2015, Salamanca, Spain
  • 2015-05-28 (Invited talk) Multi-Scale Simulation of Advanced Energy Materials

    Author/s:
    Escribano B., Akhmatskaya E., Lozano A., Carrasco J.
    Place:
    BCAM Workshop on Mathematics and its Applications, 27-29 May 2015, Bilbao, Spain
  • 2015-05-27 (Invited talk) New Approaches for History Matching in Reservoir Simulation

    Author/s:
    Radivojevic T., Akhmatskaya E.
    Place:
    GEA-GAM Workshop “Exploring the Earth”, 26-27 May 2015, University of Pau, France, 2015
  • 2015-05-05 (Invited seminar) Enhanced Sampling with GSHMC Method

    Author/s:
    Radivojevic T., Akhmatskaya E.
    Place:
    Seminar at University of Warwick on invitation of Prof. M. Girolami, UK, 5 May 2015
  • 2015-01-13 (Invited seminar) Modelling of Delayed Processes in Controlled Radical Polymerization

    Author/s:
    Rusconi S., Akhmatskaya E., Sokolovski D.
    Place:
    Laboratory of Mathematics, University of Savoie, France
  • 2014-12-04 (Invited seminar) Enhanced Sampling hybrid Monte Carlo Methods in GROMACS Package: MultiHMC-GROMACS

    Author/s:
    Akhmatskaya E., Escribano B., Fernandez-Pendas M., Terterov I.
    Place:
    ITQB, Universidade Nova de Lisboa, Portugal
  • 2014-07-17 Constant Pressure Hybrid Monte Carlo Simulations in GROMACS

    Author/s:
    Fernandez-Pendas M., Escribano B., Radivojevic T., Akhmatskaya E.
    Place:
    CCP5/CECAM Summer School 2014, 13-21 July, Manchester, UK
  • 2014-07-15 (Invited talk) Resonance Effects in State-to-State Reactive Integral Cross Sections: a Simple Program for Numerical Complex Angular Momentum (CAM) Analysis

    Author/s:
    Sokolovski D., Akhmatskaya E.
    Place:
    Quantum Days in Bilbao IV. Mathematical Methods in Atomic and Molecular Physics, 15-16 July, 2014, Bilbao, Spain
  • 2014-07-11 (Invited talk) Mathematical Modeling of Latex Polymerization Processes

    Author/s:
    Akhmatskaya E, Asua J.M., Rusconi S., Sokolovski D.
    Place:
    The 10th American Institute of Mathematical Sciences Conference on Dynamical Systems, Differential Equations and Applications, AIMS 2014, 7–11 July, 2014, Madrid, Spain
  • 2014-07-10 (Invited talk) Multi-time-stepping Generalized Monte Carlo Methods

    Author/s:
    Escribano B., Akhmatskaya E., Reich S., Azpiroz J.M.
    Place:
    The 10th American Institute of Mathematical Sciences Conference on Dynamical Systems, Differential Equations and Applications, AIMS 2014, 7-11 July, 2014, Madrid, Spain
  • 2014-07-01 (Invited talk) Computer Software for Understanding Resonances and Resonance-related Phenomena in Chemical Reactions

    Author/s:
    Sokolovski D., Akhmatskaya E.
    Place:
    The 14th International Conference on Computational Science and Its Applications ICCSA 2014, 30 June – 3 July, 2014, Guimarães, Portugal
  • 2014-01-22 (Invited seminar) Momentum Flips in Generalized Hybrid/Hamiltonian Monte Carlo Methods

    Author/s:
    Radivojevic T., Akhmatskaya E., Escribano B., Fernandez-Pendas M.
    Place:
    Universidad de Valladolid, Spain
  • 2013-07-24 New Hybrid Monte Carlo methods for sampling in Biology, Material Sciences and Statistics

    Author/s:
    Radivojevic T., Akhmatskaya E., Escribano B., Fernandez Pendas M., Terterov I.
    Place:
    CCP5 Summer School 2013 “Methods in Molecular Simulation", University of Manchester, UK
  • 2013-06-24 Multiscale modeling and simulation of complex systems with the applications in Biology, Materials Sciences and Statistics

    Author/s:
    Akhmatskaya E.
    Place:
    MSBMS Working Group Seminar, BCAM, Bilbao, Basque Country, Spain
  • 2013-06-12 (Invited talk) Detailed Complex Angular Momentum (CAM) Analysis of Resonances in the F+HD Reaction

    Author/s:
    Sokolovski D., Echeverria-Arrondo C., Akhmatskaya E., De Fazio D.
    Place:
    The 12th Workshop on Quantum Reactive Scattering (QRS12), Bordeaux, France
  • 2013-06-11 Resonance effects in the angular distributions of the F+HD(0,0,0)->HF(3,0,0)+D reaction

    Author/s:
    Sokolovski D., Echeverria-Arrondo C., Akhmatskaya E., De Fazio D.
    Place:
    The 12th Workshop on Quantum Reactive Scattering (QRS12), Bordeaux, France
  • 2013-06-03 Implementation of Meso-GSHMC Algorithm in Gromacs Molecular Simulation Package

    Author/s:
    Terterov I., Escribano B., Dubina M., Akhmatskaya E.
    Place:
    The International Workshop on Computational and Theoretical Modeling of Biomolecular Interactions, Dubna, Russia
  • 2013-03-13 (Invited talk) High Performance Computing in BCAM: Simulating Complex Systems at Various Scales

    Author/s:
    Akhmatskaya E., Escribano B.
    Place:
    HPC-GA 2nd Workshop, Bilbao, Basque Country, Spain
  • 2013-01-24 (Invited seminar) Dynamic modelling of morphology development in multiphase latex particle

    Author/s:
    Akhmatskaya E., Asua J.M.
    Place:
    Universidad de Valladolid, Spain
  • 2012-11-21 (Invited seminar) New Hybrid Monte Carlo methods for efficient simulation of complex systems

    Author/s:
    Akhmatskaya E.
    Place:
    The Cambridge Crystallographic Data Centre (CCDC), UK
  • 2012-09-14 (Invited talk) Causality, apparent “superluminality,” and reshaping in wavepacket propagation

    Author/s:
    Sokolovski D., Akhmatskaya E.
    Place:
    ECCOMAS2012, Vienna, Austria
  • 2012-09-12 (Invited seminar) Hybrid Monte Carlo methods for simulation of complex systems

    Author/s:
    Akhmatskaya E.
    Place:
    School of Chemistry, St Andrews, Scotland, UK
  • 2012-08-14 (Invited talk) Hybrid Monte Carlo: theoretical results and practical implications

    Author/s:
    Akhmatskaya E.
    Place:
    Modelling the Dynamics of Complex Molecular Systems, Lorentz Center, Leiden, Netherlands,13 August - 7 Septermber
  • 2012-07-01 (Invited talk) Generalized Shadow Hybrid Monte Carlo: from theory to useful tools

    Author/s:
    Akhmatskaya E., Reich S., Escribano B.
    Place:
    9th American Institute of Mathematical Sciences International Conference on Dynamical Systems and Differential Equations (AIMS 2012), Orlando, Florida, USA
  • 2012-06-07 (Invited talk) Dynamic modelling of morphology development in multiphase latex particle

    Author/s:
    Akhmatskaya E., Asua J.M.
    Place:
    Aquitaine-Euskadi Workshop on Applied Mathematics, Bilbao, Basque Country, Spain
  • 2012-05-02 Combining stochastic and deterministic approaches within GROMACS

    Author/s:
    Escribano B., Akhmatskaya E.
    Place:
    NAIS: State- of-the-Art Algorithms for Molecular Dynamics, Edinburgh, Scotland, UK
  • 2011-07-26 (Invited talk) Regge poles and chemical reactions: methods, applications and numerics

    Author/s:
    Sokolovski D., Akhmatskaya E.
    Place:
    Workshop Quantum Physics Days in Bilbao (2011), UPV/EHU
  • 2011-06-12 (Invited talk) Multiple-time-stepping Hybrid Monte Carlo Methods

    Author/s:
    Akhmatskaya E., Reich S.
    Place:
    5th Symposium on Theoretical Biophysics, TheoBio 2011, Madera, Portugal
  • 2011-06-02 Meso-GSHMC: A stochastic algorithm for meso-scale constant temperature simulations

    Author/s:
    Akhmatskaya E., Reich S.
    Place:
    International Conference on Computational Science, ICCS 2011, Singapore
  • 2011-02-28 (Invited seminar) Generalized hybrid Monte Carlo methods

    Author/s:
    Akhmatskaya E.
    Place:
    Departamento de Matematica Aplicada, Facultad de Ciencias, Universidad de Valladolid, Valladolid, Spain
  • 2011-01-17 (Invited seminar) New Hybrid Monte Carlo Methods for Efficient Sampling of Complex Systems

    Author/s:
    Akhmatskaya E.
    Place:
    Escuela Politécnica Superior, Universidad Autónoma de Madrid
  • 2010-10-19 NEW HYBRID MONTE CARLO METHODS FOR EFFICIENT SAMPLING: FROM PHYSICS TO BIOLOGY AND STATISTICS

    Author/s:
    Akhmatskaya E., Reich S.
    Place:
    Joint International Conference on Supercomputing in Nuclear Applications and Monte Carlo 2010 (SNA + MC2010), Tokyo, Japan
  • 2010-09-24 (Invited talk) Modelling Complex Systems: From Polymers to Viruses

    Author/s:
    Akhmatskaya E.
    Place:
    BCAM-INRIA Meeting, INRIA, Bordeaux, France
  • 2009-11-16 (Invited seminar) Enabling Simulation of Complex Systems: Hybrid Monte Carlo Methods

    Author/s:
    Akhmatskaya E.
    Place:
    BCAM, Basque Country, Spain
  • 2009-04-03 (Invited talk) Hybrid Monte Carlo Methods for Biomolecular Simulation

    Author/s:
    Akhmatskaya E.
    Place:
    Centre for Computational Science, University College London, London, UK
  • 2008-09-19 (Invited talk) Biomolecular Simulation: Focus on Health-Related Applications

    Author/s:
    Akhmatskaya E.
    Place:
    Eisai Ltd, London, UK
  • 2006-10-24 (Invited seminar) A Novel Approach for Effective Sampling

    Author/s:
    Akhmatskaya E.
    Place:
    Computing and Communication Centre, Kyushu University, Japan
  • 2006-10-08 (Invited talk) Targeted Shadowing Hybrid Monte Carlo: A Novel Approach for Biomolecular Simulation

    Author/s:
    Akhmatskaya E., Reich S., Nobes R.
    Place:
    Gordon Research Conference on Computational Chemistry, Switzerland
  • 2006-02-06 (Invited seminar) Biomolecular Simulation research in FLE

    Author/s:
    Akhmatskaya E.
    Place:
    Integrative Biology Project Meeting, Oxford University, UK
  • 2006-01-19 Enabling Biomolecular Simulations on Peta-Scale Computers

    Author/s:
    Akhmatskaya E., Nobes R., Inada Y., Asato A.
    Place:
    HPCS2006, Tokyo, Japan
  • 2004-02-22 (Invited seminar) Alternative algorithm for Sampling of the Phase Space of Large Molecules

    Author/s:
    Akhmatskaya E.
    Place:
    Pande Lab, Stanford University, CA, USA
  • 2003-11-20 Parallelization of the Molecular Orbital Program MOS-F

    Author/s:
    Akhmatskaya E., Asato A., Onodera S., Inada Y., Nobes R., Matsuura A., Takahashi A.
    Place:
    AIChE 2003 Annual Meeting, San Francisco, California, USA
  • 2001-09-12 (Invited talk) Achieving High Performance in Computational Chemistry Codes on Modern Computers

    Author/s:
    Akhmatskaya E.
    Place:
    Electronic Structure of Solids and Surfaces, EuroConference on Computer Simulation of Complex Interfaces, Giens, France
  • 1999-09-06 Parallel CASTEP: An Ab Initio Study of the Structural and Electronic Properties of Aluminosilicate Garnets and Katoite

    Author/s:
    Akhmatskaya E., Nobes R., Milman V., White J. A., Winkler B., Pickard C. J.
    Place:
    8th International Conference on the Applications of Density Functional Theory to Chemistry and Physics, Rome, Italy
  • 1999-06-01 Structural and Electronic Properties of Aluminosilicate Garnets under Pressure: An Ab Initio Study

    Author/s:
    Milman V., Akhmatskaya E., Nobes R., Winkler B.
    Place:
    E-MRS 1999 Spring Meeting, Strasbourg, France
  • 1998-11-15 Parallel CASTEP: An Ab Initio Study of the Structural and Electronic Properties of the Garnet Pyrope under Pressure

    Author/s:
    Akhmatskaya E., Nobes R., Milman V., Winkler B.
    Place:
    AIChE 1998 Annual Meeting, Topical Conference on ?Applying Molecular Modeling and Computational Chemistry?, Miami Beach, Florida, USA
  • 1998-09-14 (Invited talk) MPI CASTEP: Application to the Compressibility of Garnets

    Author/s:
    Akhmatskaya E., Nobes R., Milman V., Winkler B.
    Place:
    European Material Science User Group Meeting, Paris, France
  • 1996-11-20 (Invited seminar) A Big Move Monte Carlo Algorithm

    Author/s:
    Akhmatskaya E.
    Place:
    Atomistic Simulation Group, Queen's University Belfast, Belfast, Northern Ireland
  • 1996-07-25 A Novel Parallel Big Move Monte Carlo Algorithm: Application to the Simulation of Water Clusters

    Author/s:
    Akhmatskaya E. V., Cooper M. D., Masters A. J., Hillier I. H.
    Place:
    The 2nd European Cray MPP Workshop, Edinburgh, UK
  • 1994-06-06 Transport Coefficients of Dense Inhomogeneous Fluids: Comparison of Theory and Simulations

    Author/s:
    Akhmatskaya E. V., Gubbins K. E., Pozhar L. A., Ulberg D. E., Todd B. D., Evans D. J., Daivis P. J.
    Place:
    4th Liblice Conference on the Statistical Mechanics of Liquids, Lake Milovy, Czech Republic
  • 1993-11-21 Transport Coefficients of Dense Inhomogeneous Fluids Confined in Narrow Capillary Pores

    Author/s:
    Akhmatskaya E. V., Pozhar L. A, Ulberg D. E., Gubbins K. E.
    Place:
    AIChE Annual Meeting, St Louis, Missouri, USA
Eusko Jaurlaritza - Gobierno Vasco ikerbasque - Basque Foundation for Science Bizkaia xede. Bizkaiko Foru Aldundia innobasque - Agencia vasca de la innovación Universidad del PaÃŒs Vasco (UPV/EHU)