Pasar al contenido principal
2023-2027
Excelencia en Investigación
Personas
Preguntas Frecuentes
Contacto
English
Català
Castellano
Contenido Web
Personas
Filtrar por Departamento
CASE
CASE - Data Pre&Post Processing
CASE - Dual Technologies
CASE - Fusion
CASE - Geometry and Meshing for simulations
CASE - High Performance Computational Mechanics
CASE - Large-scale Computational Fluid Dynamics
CASE - Material Sciences
CASE - Natural Hazards and Risk Analysis
CASE - Physical and Numerical Modelling
CASE - Propulsion Technologies Group
CASE - Quantic
CASE - Smart Cities
CASE - Wave Phenomena Group
Computational
Computer Sciences
Computer Sciences - Accelerators and Communications for High Performance Computing
Computer Sciences - Accelerators and Communications for HighPerformance Computing
Computer Sciences - Artificial Intelligence Research
Computer Sciences - Best Practices for Performance and Programmability
Computer Sciences - Compilers and Toolchains for HPC
Computer Sciences - Computer Architecture for Parallel Paradigms
Computer Sciences - CORE
Computer Sciences - Data Centric Computing
Computer Sciences - Data-driven Scientific Computing
Computer Sciences - Distributed Object Management
Computer Sciences - European Exascale Accelerator
Computer Sciences - FPGA Technologies
Computer Sciences - High Performance Artificial Intelligence
Computer Sciences - High Performance Domain-Specific Architectures
Computer Sciences - HPC Modeling and Simulation for Social Sciences
Computer Sciences - Integration
Computer Sciences - Memory technologies
Computer Sciences - Microarchitecture Design and Implementation
Computer Sciences - Microserver architectures and system software
Computer Sciences - Mobile and embedded-based HPC
Computer Sciences - Operating System / Computer Architecture Interface
Computer Sciences - Operating System / Computer ArchitectureInterface
Computer Sciences - Performance Tools
Computer Sciences - Predictable Parallel Computing
Computer Sciences - Programming Models
Computer Sciences - Runtime Aware Architecture
Computer Sciences - SIM: Simulation Infrastructure and Methodologies
Computer Sciences - SOftware research and development vehicles for New ARchitectures (SONAR)
Computer Sciences - Storage Systems
Computer Sciences - Synthesis and Physical design of ICs
Computer Sciences - System software for energy management in HPC
Computer Sciences - System Tools and Advanced Runtimes
Computer Sciences - Technical Management HW Engineering
Computer Sciences - UNCORE Cache hierarchy and interconnects
Computer Sciences - Validation
Computer Sciences - VPU
Computer Sciences - Wave Phenomena Group
Computer Sciences - Workflows and Distributed Computing
Directors
Directors - Computational Social Sciences
Directors Office
Directors Office - Education And Training
Directors Office - European Relations
Directors Office - Research Fellow
Earth Sciences
Earth Sciences - Aerosols, Dust and Climate
Earth Sciences - Air Quality Services ES group
Earth Sciences - Atmospheric Chemistry and Air Quality
Earth Sciences - Atmospheric Composition Group
Earth Sciences - Climate Services ES group
Earth Sciences - Climate Variability and Change
Earth Sciences - Data, Assimilation, Forecasting and Applications
Earth Sciences - Earth Data and Diagnostics
Earth Sciences - Earth Models and Workflows
Earth Sciences - Earth System Services Group
Earth Sciences - Emissions
Earth Sciences - Global Health Resilience
Earth Sciences - High Performance Computing for Earth Sciences
Earth Sciences - Knowledge Integration ES group
Extern - Extern people by Special Petition
Innovation and Business Development
Innovation and Business Development - Technology Transfer Office
InnovationBD - Technology Transfer Office
Institutional - Education And Training
Life Sciences
Life Sciences - Bioinformatics Coordination Unit
Life Sciences - Comparative Genomics
Life Sciences - Computational Biology Life Sciences Group
Life Sciences - Computational Genomics
Life Sciences - Electronic and Atomic Protein Modelling
Life Sciences - Genome Informatics
Life Sciences - INB
Life Sciences - INB Computational Node 2
Life Sciences - Integrative Computational Network Biology
Life Sciences - Language Technologies
Life Sciences - Life Sciences Scientific Coordination unit
Life Sciences - Machine Learning for Biomedical Research
Life Sciences - Molecular Modelling and Bioinformatics
Life Sciences - NLP for Biomedical Information Analysis
Life Sciences - Social Link Analytics Life Sciences Group
Life Sciences - Transcriptomics and Functional Genomics Lab
Management
Management - Administration and Finances
Management - Communication
Management - Finance and Accounting
Management - Finance Projects
Management - Human Resources Area
Management - Information System and Services
Management - Legal
Operations
Operations - Data Management
Operations - Facility Management
Operations - Facility Management - Facility Management
Operations - Infrastructure Access Policy Unit
Operations - System Administration
Operations - User Support
Project Management, Innovation & Dissemination
Project Management, Innovation & Dissemination - Dissemination
Project Management, Innovation & Dissemination - Project Innovation Management Unit
Project Management, Innovation & Dissemination - Project Management Office
ResearchSupport - Dissemination
ResearchSupport - Project Management Office
Research
Grupo de Investigación / Área
Ab-Initio Electronic Structure Methods
Advanced docking strategies
Aerosol data assimilation
Aerosol-radiation-cloud interactions
Agent-Based Models
Agriculture and water management services
AI Experts
Air quality
Algorithms for genomics data compression
Alya - High Performance Computational Mechanics
Application optimization for GPU acceleration
Applied Learning Methods
Art+Science driven innovation
Atlantic Variability and Predictability
Atmospheric Impact Services
Bias development mechanisms
Big Data Frameworks
Biological data integration and management
Blockchain Scalability and Sustainability
BSIT: Barcelona Subsurface Imaging Tools
Cancer genomics
Cardiovascular system simulations
Climate Model Initialization and Data Assimilation
Combustion
Computational Earth Services
Computational Fluid Mechanics - Compressible Flows
Computational fluid mechanics - Incompressible flows
Computational infrastructures for biomolecular research
Computational Modeling for Fusion
Computational solid mechanics
COTS multicore real-time systems
Cultural Evolution
Curricula Development and Quality Assurance in Higher Education and Professional Training
Cyber-Physical Computing Systems
Data and Diagnostics Team
Data Placement for Heterogeneous Memory Systems
Data-Center Optimization
Data-Centric Architectures
Data-Driven Scientific Computing
Deep-Learning and HPC
Dependable and power-efficient real-time systems
Distributed Computing Library
Distributed Object Management
DLB: Dynamic Load Balancing
Docking for interactomics and personalized medicine
Domain Specific Languages
Dynamic resource management in HPC
Earthquake Simulation
eDrug: interactive drug design
Electromagnetic Modeling and Inversion
Electronic transport
Emission modelling
Energy efficiency management for Data Centers
Energy-aware and Virtualisation Technologies
Enzymatic Catalysis and Protein Engineering
EUDAT
Forecast quality assessment of seasonal-to-decadal predictions
Functional consequences of genetics variants
Generic Lightweight Threads
Genetics of Complex Diseases
Hardware Support for Big Data
High performance storage for interactive Big Data analysis
High Programming Productivity for Accelerators
High-performance IO and storage
HPC Frameworks
HPC Geophysical Applications
HPC Software Optimization
HPC Workflows
Improving Virtual Memory
Industrial artificial intelligence and digital twins
Insurance Services
Integration of Programming Models and Persistent Storage Systems
Interactive data visualization
Internet of Things and Stream Processing
Inverse Modelling
Land-atmosphere coupling and predictability
Learning Analytics
Linear Algebra and Math Libraries
MareNostrum
Memory hierarchy for GPU acceleration
Memory systems for HPC
Mesh generation and adaptivity
Message Passing Interface (MPI)
Microscale wind simulations and wind resource assessment
Microserver architectures and system software
Mineral dust - AXA Chair on Sand and Dust Storms
Mobile and embedded-based HPC
Models and Workflows Team
Multiphysics
Natural & Social Hazards (NaSH)
Network Biology
Neural networks for data-streams
New approaches to the prediction of protein structure and interactions
NoSQL technologies applied to Life Sciences
Numerical Methods
Ocean Biogeochemistry and Climate Feedbacks
Ocean forecasting
OpenMP Extensions
PELE: Monte Carlo methods for protein/DNA-ligand interactions
Performance Analytics
Performance Team
Personalized Medicine Initiative
Policy analysis
PRACE
Predictable Parallel Computing
Preemptive multiprogramming on GPUs
Probabilistic Real Time Systems
Provenance, Metadata and Reproducibility
Quantum Algorithms
Reduced Order Methods in HPC
RES
Resilient architecture and runtimes
Respiratory system
Runtime aware architectures
Scientific and Social impact
Scientific Visualization and storytelling
Sea Ice Variability, Prediction and Impacts
Seasonal prediction and attribution of extreme events
Seismic hazard, seismic vulnerability and seismic risk
Smart and resilient cities
Software development for protein-protein interactions
SOftware research and development vehicles for New ARchitectures (SONAR)
Solar energy services
Supercomputing for Artificial Intelligence
Teaching Methodologies for Technology Rich Environments
Tensor Networks
The OmpSs Programming Model
Time-predictable parallel programming models
Towards complex and intelligent workflow programming for Distributed Computing
Tropical Cyclones
Troposphere-stratosphere coupling
Urban air quality modelling
Urban Data Science
Urban-scale Atmospheric Dispersal Modeling
Volcanic ash
Wind energy services
Workflow environments for Scientific Applications
Descubre el BSC
El Centro
Qué hacemos
El BSC-CNS en Números
Historia
Misión y Valores
Resúmenes Anuales
MareNostrum
PRACE
Organización
Órganos de Gobierno
Departamentos de Investigación
Estructura de Apoyo
Equidad, Diversidad e Inclusión
Plan de Igualdad BSC
Programmes for the promotion of women
Medidas contra la violencia de género y acoso sexual
Gendered Innovations
Reconciling work and family life
Diversidad e Inclusión
Excelencia en Investigación
Severo Ochoa
Seminarios de Investigación Severo Ochoa
ERC e ICREA
Dando Forma al Futuro de la HPC
Computamos contigo
Visita nuestro supercomputador
Visitas en femenino para escuelas de primaria
Ciencia y cultura
SuperGeek
Cursos y materiales para escuelas
Somos investigadoras
Bojos per la supercomputació
Galería Multimedia
Imágenes
Brand & Logo
Licitaciones Públicas
Fase de admisión
En proceso de adjudicación
Formalizadas
Anuncios
Transparencia
BSC Folks
Visita
presencial
Visita
virtual
Investigación y Desarrollo
Áreas de Investigación
Atmospheric Composition
Big Data
Bioinformatics
Biomechanics
Climate Prediction
Cloud Computing
Cognitive Computing
Computational Earth Sciences
Computer Architecture and Codesign
Distributed Computing
Education
Engineering Simulations
Fusion
Genomics
Geophysics
HPC Software Engineering
Materials Science
Molecular Modeling
Operations Infrastructure
Performance Analysis
Programming Models
Quantum Information
Social Simulation
Personas
Departamentos de Investigación
Ciencias de la Computación
Ciencias de la Vida
Ciencias de la Tierra
CASE
Proyectos
Publicaciones
Resúmenes Anuales
Informes Técnicos
Oferta Tecnológica
Portafolio de Patentes
Software & Hardware
Seminarios de Investigación
Seminarios anteriores
Conferencias
Software & Hardware
Publicaciones
MareNostrum
MareNostrum
Información Técnica
Documentación de Usuario
Visitas
MinoTauro
Archivo Activo
StarLife
Acceso a Recursos de Supercomputación
Acceso a la RES
Software HPC Disponible
Acceso a Eduroam
Software HPC Disponible
BSCTech Hackathons
Cursos PATC
Cursos de la RES
Tech Transfer
Descubre la Supercomputación
Áreas de Aplicación
Cómo colaborar con nosotros
Oferta Tecnológica
Portafolio de Patentes
Software & Hardware
Servicios
Calidad del Aire
Clima
Polvo Mineral
Genómica Computacional
Análisis de Rendimiento y Optimización HPC
Colaboración con Empresas
Spin-Offs y Emprendimiento
Spin-Offs
Emprendimiento en el BSC
Spin-Offs
Únete
Becas
Pregraduados
Máster
Predoctorales
Posdoctoral
Otro
Becas para pregraduados
Oportunidades de Trabajo
Oportunidades de Excelencia Profesional
Iniciativas de Recursos Humanos y reconocimientos
Motivos para trabajar en el BSC
Proceso de Contratación
Programas de Movilidad
Vivir en Barcelona
Preguntas Frecuentes
¡Únete a la comunidad!
Educación
Formación
BSC Training
Past BSC Training
Cursos de la RES
Cursos de la RES pasados
Formación CUDA
Formación CUDA pasada
Otra Formación
Otra Formación Pasada
Predoctorales
Programas de Doctorado
Formación Profesional
Programas de Movilidad
Simposio Doctoral
Bioinfo4Women
Women in Computer Sciences
Equity4CASE
Equity4ES
Graduados
Programa de Máster
Prácticas
Testimonios y Distinciones
Escuelas Estacionales
Talleres
Talleres Pasados
Vivir en Barcelona
Noticias
Noticias del BSC
News content
Eventos
El BSC en los medios de comunicación
Boletín
Resúmenes Anuales
Galería Multimedia
Marca y Logotipo
Se encuentra usted aquí
Inicio
/
Investigación y Desarrollo
/
Publicaciones
/
“When mass spectroscopy and molecular simulations meet”. Invited Talk. CECAM Meeting. Frontiers of Computational Biomolecular Spectroscopy and Mass Spectrometry
“When mass spectroscopy and molecular simulations meet”. Invited Talk. CECAM Meeting. Frontiers of Computational Biomolecular Spectroscopy and Mass Spectrometry
International Conferences
2013
Authors:
Orozco, Modesto
