Back-end Molecular Modelling Software Engineer

We are seeking a back-end Scientific Software Engineer to join our Intangible Realities Laboratory at CiTIUS | Centro Singular de Investigación en Tecnoloxías Intelixentes da USC in Santiago de Compostela, Spain. In this role, you will be responsible for developing and maintaining high-performance cloud computing systems and molecular simulation software, as well as mentoring and training junior members of the team. The ideal candidate will have expertise in parallel programming strategies for multi-threaded CPU and GPU applications, as well as a strong working knowledge of tools such as Docker, gRPC, continuous integration, and version control.

Key Responsibilities:

• Design, develop, and maintain high-performance cloud computing systems for molecular simulations and other scientific applications.
• Develop and maintain molecular simulation software, and optimize it for high-performance computing architectures.
• Develop protocols for efficient data storage and management.
• Mentor and train junior members of the team in best software development practices.
• Collaborate with our interdisciplinary team of scientists, artists, and developers to integrate back-end systems with front-end applications such as VR clients.
• Stay up to date with the latest cloud computing and molecular simulation technologies, and integrate them into our workflows.
• Presentations at conferences and/or publications in respected journals or equivalent in the field.

Requirements:

• PhD in Computer Science, Computational Chemistry, or related field, with a proven record of experience in one or more of the following:

1. theoretical and computational approaches to simulating molecular dynamics,
2. quantum chemistry,
3. machine learning,
4. computational science,
5. high performance computing methodology.

• Expertise in parallel programming strategies for multi-threaded CPU and GPU applications.

• Experience with cloud computing platforms such as AWS, Google Cloud, or Azure.

• Strong programming skills in Rust, C++, Python, or other scientific computing languages.

• Significant previous experience of independent research (or transferable skills gained from professional or clinical experience combined with some experience or an awareness of the research environment)

• High-level analytical skills.

• High level of proficiency in using integrated development environments, and also source management tools like Github.

• Experience in managing agile development workflows, software lifecycles, and leading technical teams.

• Experience with cloud deployment procedures such as Docker & Terraform.

• Ability to work independently towards pre-defined goals: to devise, review and deliver complex projects.

• Excellent communication skills and ability to work in a team.

• Proficient English Speaker.

Desired Skills:

• Familiarity with scientific visualization and data analysis.

• Proficiency with molecular dynamics visualization tools like VMD, pyMol, etc.

• Experience in designing and maintaining virtual reality-enabled simulation codes.

• Database management systems such as MySQL or PostgreSQL.

• Familiarity with the Rust programming language.