-
2019-07-15
Assessment and Optimization of Candidate Materials for Energy Applications
- Author/s:
- Akhmatskaya E., Rincon Bonilla M., Garcia Daza F., Carrasco J.
- Place:
- ICIAM 2019, Mini-symposium "EU-MATHS-IN: Success Stories of Applications”, Valencia, Spain
-
2019-07-09
(Invited seminar) Multiscale Modeling & Simulation of Advanced Energy Materials
- Author/s:
- Akhmatskaya E., Rincon Bonilla M., Garcia F., Carrasco J.
- Place:
- Seminar at the International Centre for Quantum & Molecular Structures, Department of Physics, Shanghai University, Shanghai, China, on invitation of Prof. W. Ren
-
2019-07-08
(Invited seminar) Fail-Safe Hamiltonian Monte Carlo
- Author/s:
- Akhmatskaya E., Fernández-Pendás M., Müller F., Pérez Heredia J., Radivojević T., Sanz-Serna J.M.
- Place:
- Seminar at Department of Mathematics, Shanghai University, Shanghai, China, on invitation of Prof. P. Zhu
-
2019-07-02
(Invited talk) Study of Reactive Angular distributions with the DCS_Regge Software Package
- Author/s:
- Sokolovski D., Akhmatskaya E.
- Place:
- XIV International Workshop on Quantum Reactive Scattering, QRS 2019, Saitama, Japan
-
2019-06-07
(Invited seminar) Fail-Safe Hamiltonian Monte Carlo
- Author/s:
- Akhmatskaya E., Fernández-Pendás M., Müller F., Pérez Heredia J., Radivojević T., Sanz-Serna J.M.
- Place:
- Centre de Recerca Matematica (CRM), Barcelona, Spain, on invitation of Prof. T. Alarcon
-
2019-06-03
(Invited talk) Multiscale Modelling of Ionic Conduction in Advanced Battery Materials
- Author/s:
- Rincon Bonilla M., Garcia F., Carrasco J., Akhmatskaya E.
- Place:
- VIII International Conference on Coupled Problems in Science and Engineering, Coupled 2019, Mini-symposium “Advances in Modelling Multiscale Systems and their Applications”, Sitges, Spain
-
2019-01-29
(Invited talk) No Time at the End of the Tunnel?
- Author/s:
- Sokolovski D., Akhmatskaya E.
- Place:
- Conference on Time and Fundamentals of Quantum Mechanics, Weizmann Institute of Science, Rehovot, Israel
-
2018-08-26
Force field development and advanced force-field simulation of diffusion in solid energy materials
- Author/s:
- Rincon Bonilla M., Garcia Daza F., Lozano A., Escribano B., Carrasco J., Akhmatskaya E.
- Place:
- 7th EuCheMS Chemistry Congress 2018, Liverpool, UK
-
2018-06-18
Mathematically Enhanced Atomistic Simulation of Diffusion in Advanced Energy Materials
- Author/s:
- García Daza F., R. Bonilla M., Escribano B., Carrasco J., Akhmatskaya E.
- Place:
- The 20th European Conference on Mathematics for Industry (ECMI), Budapest, Hungary
-
2018-06-18
Transport of Na in NaxFePO4 cathode material: insights from advanced force-field Molecular Simulations
- Author/s:
- Bonilla, R.M., Lozano A., Escribano B., Carrasco J., Akhmatskaya E.
- Place:
- The 2018 E-MRS Spring Meeting and Exhibit, Strasbourg, France
-
2018-05-03
(Invited talk) What is measured by the ”weak measurements”, and why ”the tunneling time” may never be found
- Author/s:
- Sokolvski D., Akhmatskaya E.
- Place:
- Quantum Frontiers and Foundations 2018, Bangalore, India
-
2018-03-14
(Invited talk) Simulation of chemical reactions: software for analyzing resonance effects
- Author/s:
- Sokolovski D., Akhmatskaya E.
- Place:
- ICCSME2018, Thessaloniki, Greece
-
2017-09-28
(Invited seminar) Stochastic Simulation of Continuous Quantum Measurements
- Author/s:
- Rusconi S., Sokolovski D., Akhmatskaya E.
- Place:
- Laboratory of Mathematics, University of Savoie, France, on invitation of Dr. D. Dutykh
-
2017-09-11
(Invited talk) Adaptive splitting integrators for modified Hamiltonian Monte Carlo methods
- Author/s:
- Akhmatskaya E., Fernández-Pendás M., Radivojevic T., Sanz-Serna J.M.
- Place:
- The International Conference on Scientific Computation and Differential Equations, SciCADE 2015, Bath, UK
-
2017-07-05
(Invited talk) Regge poles as a practical tool: Towards software for analyzing resonance effects in reactive angular distributions
- Author/s:
- Sokolovski E., Akhmatskaya E., De Fazio D.
- Place:
- Quantum Reactive Scattering XIV, QRS XIV, Trieste, Italy
-
2017-06-23
(Invited talk) Modified Hamiltonian Monte Carlo methods in practice
- Author/s:
- Radivojevic T., Akhmatskaya E.
- Place:
- Mini-workshop on Monte Carlo and Hybrid Methods, 23 June 2017, Sussex, UK
-
2017-06-23
(Invited talk) Sampling with modified Hamiltonians in statistical inference
- Author/s:
- Akhmatskaya E., Radivojevic T.
- Place:
- Mini-workshop on Monte Carlo and Hybrid Methods, 23 June 2017, Sussex, UK
-
2017-01-25
(Invited seminar) Adaptive splitting integrators for enhancing sampling efficiency of shadow Hamiltonian Monte Carlo methods
- Author/s:
- Fernandez-Pendas M., Radivojevic T., Sanz-Serna J.M., Akhmatskaya E.
- Place:
- University of Valladolid, Spain, on invitation of Prof. J.M. Sanz-Serna
-
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
-
2016-09-29
Adaptive Multi-scale Integrators with Optimal Energy Conservation
- Author/s:
- Fernández-Pendás M., Akhmatskaya E., Sanz-Serna J.M.
- Place:
- DYNAPEUTICS, Donostia, 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:
- 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
-
2016-02-15
Adaptive Multi-scale Integrators with Optimal Energy Conservation
- Author/s:
- Fernández-Pendás M., Akhmatskaya E., Sanz-Serna J.M.
- Place:
- Workshop “Models for Protein Dynamics 1976-2016”, CECAM-HQ-EPFL, Lausanne, Switzerland
-
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
