Personal information

Hamiltonian Monte Carlo /MD/ /Numerical Integration/Modelling & Simulation of Complex Systems
Spain

Biography

E. Akhmatskaya is an Ikerbasque Professor, a BCAM Research Area Coordinator & Group Leader; an LBNL Affiliate Research Professor (Lawrence Berkeley National Laboratory, USA):
• An applied mathematician, working on the development of novel numerical algorithms for quantum,
atomistic, meso- and multiscale simulation, their implementation in software and subsequent
application to the frontline research in Life and Physical Sciences using High Performance Computers
• 20+ years of international academic experience in USA (Cornell University), UK (University of
Manchester, Imperial College London), Spain (BCAM), USSR
• 13 years of industrial experience ( Fujitsu (Japan), UK – Principal Researcher)
• Author/co-author of original stochastic/deterministic sampling methods (GSHMC, MTS-GSHMC, meso-GSHMC, RSM-GSHMC, MMHMC) for efficient simulation of complex systems
• Author/co-author of adaptive multistage integration schemes (AIA, s-AIA2/3, MAIA, e-MAIA, s-MAIA2/3) for Hamiltonian Monte Carlo methods and Hamiltonian Dynamics
• 80+ articles in scientific journals, 2000+ citations
• 60+ confidential industrial reports (Fujitsu, Toyota, NAG, Accelrys, Iberdrola, Repsol)
• 4 granted and 4 published USA, GB and European patents
• Principal / contributed developer of 3 commercial and 4 open source software package
• “ Guarantor researcher” for 3 consecutive 4-years grant of 4,000,000.00 € obtained by BCAM as an excellence research
center (ref. Severo Ochoa Accreditation, SEV-2013-0323, SEV-2017-0718, CEX2021-001142-S
• BCAM coordinator for 2 consecutive MSCA H2020 RISE European projects (777778 - MATHROCKS (H2020) and 644202 GEAGAM (H2020))
• Principal Investigator of 15 research projects funded by national/international bodies since 2017
• Review Editor on the Editorial Board of Physical Chemistry and Chemical Physics (specialty section of Frontiers in Chemistry and Frontiers in Physics)
• Member of Math-in (Spain)

Activities

Employment (9)

Lawrence Berkeley National Laboratory: Berkeley, US

2020 to present | Berkeley Lab Affiliate Research Professor (Quantitative Metabolic Modeling (QMM))
Employment
Source: Self-asserted source
Elena Akhmatskaya

Ikerbasque, Basque Foundation for Science: Bilbao, Basque Country, ES

2014-02-01 to present | Ikerbasque Professor (BCAM)
Employment
Source: Self-asserted source
Elena Akhmatskaya

Basque Center for Applied Mathematics (BCAM): Bilbao, Pais Vasco, ES

2010 to present | Group leader (Modeling and Simulation in Life and Materials Sciences )
Employment
Source: Self-asserted source
Elena Akhmatskaya

Ikerbasque, Basque Foundation for Science: Bilbao, Basque Country, ES

2009 to 2010 | Ikerbasque Fellow (BCAM)
Employment
Source: Self-asserted source
Elena Akhmatskaya

Fujitsu Laboratories of Europe: Hayes, London, GB

2002 to 2010 | Principal Researcher (Environmental & Health Research Division )
Employment
Source: Self-asserted source
Elena Akhmatskaya

Fujitsu European Centre for Information Technology: Uxbridge, London, GB

1997 to 2002 | Research Scientist (Computational Chemistry )
Employment
Source: Self-asserted source
Elena Akhmatskaya

Imperial College London: London, London, GB

1997 to 1998 | Visiting Scientist (Department of Chemistry)
Employment
Source: Self-asserted source
Elena Akhmatskaya

University of Manchester: Manchester, Manchester, GB

1995 to 1997 | Research Associate (Department of Chemistry)
Employment
Source: Self-asserted source
Elena Akhmatskaya

Cornell University: Ithaca, NY, US

1993 to 1995 | Visiting Scientist (School of Chemical Engineering)
Employment
Source: Self-asserted source
Elena Akhmatskaya

Funding (15)

M-KONTAK - "INVESTIGACIÓN DE LOS FENÓMENOS ASOCIADOS AL CONTACTO METAL-METAL EN TECNOLOGÍAS DE H2 A ALTA PRESIÓN”

2022-01 to 2023-12 | Grant
Basque Government (Vitoria-Gasteiz, ES)
GRANT_NUMBER:

KK-2022/00006

Source: Self-asserted source
Elena Akhmatskaya

CICe21 - "MODELIZACIÓN ELECTROQUÍMICA Y TÉRMICA PARA EL DESARROLLO EFICIENTE DE BATERÍAS DE NUEVA GENERACIÓN – ION-MODEL”

2021-03 to 2022-12 | Grant
Basque Government (Vitoria-Gasteiz, ES)
GRANT_NUMBER:

KK-2021/00064

Source: Self-asserted source
Elena Akhmatskaya

ICME-2022 - "METODOLOGÍA DE MODELIZACIÓN MULTI-ESCALA PROCESO-MICROESTRUCTURA-PROPIEDADES-DESEMPEÑO PARA LA AGILIZACIÓN DEL DISEÑO DE MATERIALES, PROCESOS Y COMPONENTES METÁLICOS EN LA INDUSTRIA VASCA”

2021-03 to 2022-12 | Grant
Basque Government (Vitoria-Gasteiz, ES)
GRANT_NUMBER:

KK-2021/00022

Source: Self-asserted source
Elena Akhmatskaya

MACHINE LEARNING FOR METABOLIC MODELING

2021-01 to 2021-12 | Grant
Lawrence Berkeley National Laboratory (Berkeley, US)
GRANT_NUMBER:

SRS 7568991

Source: Self-asserted source
Elena Akhmatskaya

“MÉTODOS DE INTEGRACIÓN GEOMÉTRICA PARA PROBLEMAS CUÁNTICOS, MECÁNICA CELESTE Y SIMULACIONES MONTECARLO“

2020-06 to 2023-05 | Grant
Ministerio de Ciencia e Innovación (Madrid, ES)
GRANT_NUMBER:

PID2019-104927GB-C22

Source: Self-asserted source
Elena Akhmatskaya

“bG2020 - "MEDICINA DE PRECISIÓN EN CÁNCER: DESARROLLO DE HERRAMIENTAS DIAGNÓSTICAS Y NUEVAS TERAPIAS”

2020-03 to 2021-12 | Grant
Basque Government (Vitoria-Gasteiz, ES)
GRANT_NUMBER:

KK-2020/00008.

Source: Self-asserted source
Elena Akhmatskaya

“MACHINE-LEARNING-DRIVEN ATOMISTIC SIMULATIONS FOR ENERGY AND BIOMEDICAL APPLICATIONS"

2019-09 to 2020-12 | Grant
Basque Government (Vitoria-Gasteiz, ES)
GRANT_NUMBER:

EXP. 2019/00432

Source: Self-asserted source
Elena Akhmatskaya
grade
Preferred source (of 2)‎

“APRENDIZAJE EFICIENTE EN LA INTELIGENCIA ARTIFICIAL APLICADA A LA INDUSTRIA”

2019-03 to 2020-12 | Grant
Basque Government (Vitoria-Gasteiz, ES)
GRANT_NUMBER:

KK-2019/00068

Source: Self-asserted source
Elena Akhmatskaya

“bG2018 - MEDICINA PERSONALIZADA: DESARROLLO DE HERRAMIENTAS DE DIAGNOSIS Y TERAPIAS EN CÁNCER”

2018-03 to 2019-12 | Grant
Basque Government (Vitoria-Gasteiz, ES)
GRANT_NUMBER:

KK-2018/00054

Source: Self-asserted source
Elena Akhmatskaya

“MULTISCALE INVERSION OF POROUS ROCK PHYSICS USING HIGH-PERFORMANCE SIMULATORS: BRIDGING THE GAP BETWEEN MATHEMATICS AND GEOPHYSICS”

2018-01 to 2022-03 | Grant
H2020 Marie Skłodowska-Curie Actions (Brussels, BE)
GRANT_NUMBER:

H2020-MSCA-RISE-2017, 777778

Source: Self-asserted source
Elena Akhmatskaya

Electromagnetic Imaging of the Earth's Subsurface using Advanced Galerkin Methods

2017-01 to 2019-12 | Grant
Ministerio de Economía y Competitividad (Madrid, ES)
GRANT_NUMBER:

MTM2016-76329-R

Source: Self-asserted source
Elena Akhmatskaya

bG2106 - Collaborative Research in Precision Medicine and Biomarkers

2016-03 to 2017-12 | Grant
Basque Government (ELKARTEK) (Bilbao, ES)
GRANT_NUMBER:

KK-2016/00026

Source: Self-asserted source
Elena Akhmatskaya

RETOS EN INTEGRACION NUMERICA: DE LAS ESTRUCTURAS ALGEBRAICAS A SIMULACIONES MONTE CARLO

2015-01 to 2017-09 | Grant
Ministerio de Economía y Competitividad (Madrid, ES)
GRANT_NUMBER:

MTM2013-46553-C3-1-P

Source: Self-asserted source
Elena Akhmatskaya

“GEOPHYSICAL EXPLORATION USING ADVANCED GALERKIN METHODS”

2015-01 to 2017-09 | Grant
H2020 Marie Skłodowska-Curie Actions (Brussels, BE)
GRANT_NUMBER:

644202 GEAGAM (H2020)

Source: Self-asserted source
Elena Akhmatskaya

“TOWARDS AN ATOMISTIC UNDERSTANDING OF SODIUM-ION BATTERIES ON THE NANOSCALE”

2014-10 to 2015-09 | Grant
Fundación Iberdrola España (Madrid, ES)
Source: Self-asserted source
Elena Akhmatskaya