Postdoctoral Researcher in Theoretical Simulation

hace 3 días

Barcelona, Barcelona, España The Computational Chemistry List A tiempo completo
Job Title:
Postdoctoral Researchers (MaX CoE project)

Research Area or Group:

The Theory and Simulation Group at The Computational Chemistry List has a strong focus on the development of electronic structure methods and their application in atomistic simulations of molecules and materials.

These include (but are not restricted to) SIESTA and its TranSIESTA functionality.

SIESTA is a multi-purpose first-principles method and program, based on Density Functional Theory, which can be used to describe the atomic and electronic properties of systems with up to several thousands of atoms.

TranSIESTA is an extension of SIESTA that enables the study of electronic transport phenomena in nanoscale devices.

The project will be conducted in close collaboration with other SIESTA developers and in coordination with the developers of the other MaX flagship codes.

The work at The Computational Chemistry List focuses on using advanced programming tools to turn SIESTA into a lighthouse exascale-oriented application with enhanced scientific capabilities.


Main Tasks and Responsibilities:


Design, implementation and testing of new methods and algorithms so that SIESTA can harness the compute power of the latest generation of (pre-)exascale architectures and tackle novel scientific challenges.

Contribution to the design, implementation and testing of AiiDA-based exascale workflows that employ SIESTA, thus providing an additional avenue to leverage and saturate exascale performance.

Writing of well-structured, performant, well-documented code.Review of code written by colleagues.
Preparation of scientific reports, journal articles and software documentation.

Contribution to applications to HPC centres in order to secure the resources needed for architecture-dependent code development, optimised deployment and benchmarking.

Contribution to SIESTA training events.
Contribution to other activities in the group.

Requirements:

Education:
PhD in Physics, Materials Science, Chemistry, Computer Science, or related disciplines

Knowledge:
Density Functional Theory-based methods

Professional Experience:
Scientific programming in Fortran, in MPI/OpenMP-parallelised codes. Knowledge of other languages and of GPU offloading will be valued but it is not essential.
Familiarity with revision control software.
High Performance Computing.
Experience with High Throughput Calculations will be valued but it is not essential.
Previous experience with SIESTA will be a plus but it is not essential.

  • Postdoctoral Researcher in Theoretical Simulation

    hace 7 días

    Barcelona, Barcelona, España The Computational Chemistry List A tiempo completo

    Job Title: Postdoctoral Researchers (MaX CoE project)The Theory and Simulation Group at ICN2 is seeking a highly skilled Postdoctoral Researcher to join our team. As a member of our group, you will be responsible for designing, implementing, and testing new methods and algorithms to harness the compute power of the latest generation of (pre-)exascale...

  • Postdoctoral Researcher in Theoretical Simulation

    hace 7 días

    Barcelona, Barcelona, España The Computational Chemistry List A tiempo completo

    Job Title:Postdoctoral Researchers (MaX CoE project)Research Area or Group:The Theory and Simulation Group has a strong focus on developing electronic structure methods and their application in atomistic simulations of molecules and materials. We are seeking a highly skilled postdoctoral researcher to join our team and contribute to the development of...

  • Postdoctoral Researcher in Computer Architecture Simulation

    hace 2 semanas

    Barcelona, Barcelona, España Barcelona Supercomputing Center A tiempo completo

    Join Our Team as a Postdoctoral Researcher in Computer Architecture SimulationWe are seeking a highly motivated and experienced postdoctoral researcher to join our team at the Barcelona Supercomputing Center (BSC). As a postdoctoral researcher, you will be part of our Accelerators and Communications for HPC Group, which leads cutting-edge research and...

  • Postdoctoral Researcher in Computer Architecture Simulation

    hace 2 semanas

    Barcelona, Barcelona, España Barcelona Supercomputing Center A tiempo completo

    Join Our Team as a Postdoctoral Researcher in Computer Architecture SimulationWe are seeking a highly motivated and experienced postdoctoral researcher to join our team at the Barcelona Supercomputing Center (BSC). As a postdoctoral researcher, you will be part of our Accelerators and Communications for HPC Group, which leads cutting-edge research and...

  • Postdoctoral Researcher in Computer Architecture Simulation

    hace 2 semanas

    Barcelona, Barcelona, España Barcelona Supercomputing Center A tiempo completo

    Join Our Team as a Postdoctoral Researcher in Computer Architecture SimulationWe are seeking a highly motivated and experienced postdoctoral researcher to join our team at the Barcelona Supercomputing Center (BSC). As a postdoctoral researcher, you will be part of our Accelerators and Communications for HPC Group, which leads cutting-edge research and...

  • Postdoctoral Researcher in Computer Architecture Simulation

    hace 2 semanas

    Barcelona, Barcelona, España Barcelona Supercomputing Center A tiempo completo

    Join Our Team as a Postdoctoral Researcher in Computer Architecture SimulationWe are seeking a highly motivated and experienced postdoctoral researcher to join our team at the Barcelona Supercomputing Center (BSC). As a postdoctoral researcher, you will be part of our Accelerators and Communications for HPC Group, which leads cutting-edge research and...

  • Postdoctoral Researcher in Gauge Theories

    hace 2 semanas

    Barcelona, Barcelona, España Quantum Flagship A tiempo completo

    Postdoctoral Researcher in Gauge TheoriesWe are seeking a highly motivated and experienced postdoctoral researcher to join our team at Quantum Flagship. The successful candidate will be working on simulating gauge theories with Rydberg atom arrays, a cutting-edge experimental platform for quantum simulation.About the ProjectThe project aims to extend the...

  • Postdoctoral Researcher in Gauge Theories

    hace 2 semanas

    Barcelona, Barcelona, España Quantum Flagship A tiempo completo

    Postdoctoral Researcher in Gauge TheoriesWe are seeking a highly motivated and experienced postdoctoral researcher to join our team at Quantum Flagship. The successful candidate will be working on simulating gauge theories with Rydberg atom arrays, a cutting-edge experimental platform for quantum simulation.About the ProjectThe project aims to extend the...

  • Postdoctoral Researcher in Theoretical Simulation

    hace 2 semanas

    Barcelona, Barcelona, España The Computational Chemistry List A tiempo completo

    Job Title: Postdoctoral Researchers (MaX CoE project)Research Area or Group: Theory and SimulationDescription of Group/Project:The Theory and Simulation Group has a strong focus on the development of electronic structure methods and their application in atomistic simulations of molecules and materials. Our team has extensive experience in the use of Density...

  • Postdoctoral Researcher in Theoretical Simulation

    hace 2 semanas

    Barcelona, Barcelona, España The Computational Chemistry List A tiempo completo

    Job Title: Postdoctoral Researchers (MaX CoE project)Research Area or Group: Theory and SimulationDescription of Group/Project:The Theory and Simulation Group has a strong focus on the development of electronic structure methods and their application in atomistic simulations of molecules and materials. Our team has extensive experience in the use of Density...

  • Postdoctoral Researcher in Computer Architecture Simulation

    hace 2 semanas

    Barcelona, Barcelona, España Barcelona Supercomputing Center A tiempo completo

    Join Our Team as a Postdoctoral Researcher in Computer Architecture SimulationWe are seeking a highly motivated and experienced postdoctoral researcher to join our team at the Barcelona Supercomputing Center (BSC). The successful candidate will be part of our Accelerators and Communications for HPC Group, leading cutting-edge research and development around...

  • Postdoctoral Researcher in Computer Architecture Simulation

    hace 2 semanas

    Barcelona, Barcelona, España Barcelona Supercomputing Center A tiempo completo

    Join Our Team as a Postdoctoral Researcher in Computer Architecture SimulationWe are seeking a highly motivated and experienced postdoctoral researcher to join our team at the Barcelona Supercomputing Center (BSC). The successful candidate will be part of our Accelerators and Communications for HPC Group, leading cutting-edge research and development around...

  • Postdoctoral Researcher in Theoretical and Experimental Optics

    hace 7 días

    Barcelona, Barcelona, España ICFO A tiempo completo

    Research Opportunities at ICFOICFO is a leading research center in the field of optics and photonics, offering a unique opportunity for postdoctoral researchers to contribute to cutting-edge projects in theoretical and experimental optics. Our research groups are actively involved in various areas, including ultrafast optics, nonlinear optics, photovoltaics,...

  • Postdoctoral Researcher in Quantum Simulation with Ultracold Strontium Atoms

    hace 1 semana

    Barcelona, Barcelona, España The Institute Of Photonic Sciences (Icfo) A tiempo completo

    Postdoctoral Researcher in Quantum Simulation with Ultracold Strontium AtomsThe Institute of Photonic Sciences (ICFO) is seeking a highly motivated and experienced postdoctoral researcher to join our team in the field of quantum simulation with ultracold strontium atoms.About the ProjectWe are offering a postdoctoral position to a well-qualified and highly...

  • Postdoctoral Researcher in Superconducting Devices

    hace 2 semanas

    Barcelona, Barcelona, España Universidad Autónoma de Madrid - Higher Education A tiempo completo

    Postdoctoral Researcher in Superconducting DevicesWe are seeking a highly motivated Postdoctoral Researcher to join our team at the Universidad Autónoma de Madrid - Higher Education. The successful candidate will work on theoretical problems related to electronic transport in superconducting devices, with a focus on designing novel applications for quantum...

  • Postdoctoral Researcher in Superconducting Devices

    hace 2 semanas

    Barcelona, Barcelona, España Universidad Autónoma de Madrid - Higher Education A tiempo completo

    Postdoctoral Researcher in Superconducting DevicesWe are seeking a highly motivated Postdoctoral Researcher to join our team at the Universidad Autónoma de Madrid - Higher Education. The successful candidate will work on theoretical problems related to electronic transport in superconducting devices, with a focus on designing novel applications for quantum...

  • Postdoctoral Researcher in Computer Architecture Simulation

    hace 1 semana

    Barcelona, Barcelona, España Barcelona Supercomputing Center A tiempo completo

    Join Our Research TeamThe Barcelona Supercomputing Center's Accelerators and Communications for HPC Group is seeking a highly skilled researcher to contribute to our cutting-edge projects in computer architecture and simulation. As a postdoctoral researcher, you will have the opportunity to work on novel hardware proposals for homomorphically encrypted deep...

  • Postdoctoral Researcher in Integrated Photonics Design

    hace 7 días

    Barcelona, Barcelona, España Quantum Flagship A tiempo completo

    Postdoctoral Researcher in Integrated Photonics DesignICFO is seeking a highly motivated postdoctoral researcher to join our Optoelectronics group. The successful candidate will work on projects related to classical and quantum photonic integrated circuits (PICs), focusing on design, simulation, characterization, or packaging of PICs. The aim is to develop...

  • Postdoctoral Researcher in Quantum Simulation with Ultracold Strontium Atoms

    hace 2 semanas

    Barcelona, Barcelona, España The Institute Of Photonic Sciences (Icfo) A tiempo completo

    Postdoctoral Researcher in Quantum Simulation with Ultracold Strontium AtomsThe Institute of Photonic Sciences (ICFO) is offering a postdoctoral position to a well-qualified and highly motivated researcher who wishes to enhance their scientific career in a stimulating environment.About the ProjectThe successful candidate will be joining the Ultracold Quantum...

  • Postdoctoral Researcher in Quantum Simulation with Ultracold Strontium Atoms

    hace 2 semanas

    Barcelona, Barcelona, España The Institute Of Photonic Sciences (Icfo) A tiempo completo

    Postdoctoral Researcher in Quantum Simulation with Ultracold Strontium AtomsThe Institute of Photonic Sciences (ICFO) is offering a postdoctoral position to a well-qualified and highly motivated researcher who wishes to enhance their scientific career in a stimulating environment.About the ProjectThe successful candidate will be joining the Ultracold Quantum...