Company: VASP Software GmbH

Location: Berggasse 21/14, 1090 Vienna

We are looking for a VASP Support Scientist who creates tutorials, contributes to the VASP Wiki, and resolves user inquiries, as well as a VASP HPC Specialist who enhances the scalability of algorithms, implements parallel computing strategies, and identifies bottlenecks.

1. Position: VASP Support Scientist

Are you passionate about computational materials science and interested in exploring the vast spectrum of VASP features? Do you have a knack for clear communication? If so, we have an opportunity for you!

Job Description:

As a VASP Support Scientist at VASP Software GmbH, you will play a pivotal role in educating and empowering the scientific community by creating informative and user-friendly tutorials in Jupyter notebooks and enhancing the VASP Wiki with comprehensive documentation. Your work will contribute to making VASP accessible and user-friendly for researchers and scientists worldwide.

Key Responsibilities:

• Create detailed tutorials in Jupyter notebooks covering a wide range of VASP features.
• Contribute to and maintain the VASP Wiki with well-organized, comprehensive documentation.
• Collaborate with the VASP community to gather feedback and improve documentation.
• Assist in troubleshooting and resolving user inquiries related to VASP.
• Stay up-to-date with the latest developments and features in VASP.

Qualifications:

• A PhD and possibly PostDoc experience in physics, chemistry, material science, biology or related fields.
• A strong interest in the entire spectrum of VASP features.
• Experience in running VASP calculations for a scientific project or contributing to a first-principles code with similar algorithms and features as VASP.
• Background in one or more of the following fields would complement the team best: Density-functional-perturbation theory, disorder, impurities, van der Waals systems, catalysis or superconductivity

Requirements:

• Proficiency in using VASP and a strong understanding of first-principles calculations.
• Strong communication skills to convey complex topics in a simple and understandable manner.
• Self-motivated and capable of working independently as well as collaboratively.
• Strong problem-solving skills and attention to detail.
• A commitment to producing high-quality documentation.

2. Position: VASP HCP Specialist

Are you an expert in High-Performance Computing (HPC) and interested in pushing the boundaries of computational materials science? We have a unique opportunity for an HPC Specialist to join our team!

Job Description:

As an HPC Specialist at VASP Software GmbH, you will be at the forefront of driving computational materials science to new heights. You will play a crucial role in optimizing and accelerating VASP simulations on HPC clusters and supercomputers, enabling groundbreaking scientific research. Your expertise will be instrumental in harnessing the full potential of VASP for solving complex materials-science challenges.

Key Responsibilities:

• Assess and enhance the scalability of algorithms to ensure VASP can efficiently utilize a wide range of computational resources, from local clusters to national and international supercomputers.
• Implement and maintain parallel computing strategies, taking advantage of multi-core processors, accelerators (e.g., GPUs), and distributed computing environments.
• Conduct performance profiling and benchmarking to identify bottlenecks in VASP simulations, providing recommendations for improvement.
• Offer technical support to the VASP user community, addressing HPC-related queries and troubleshooting issues to improve the user experience.
• Contribute to the documentation of best practices for running VASP on HPC systems, sharing your knowledge and expertise with users.

Qualifications:

• A PhD in a relevant field, such as computer science, computational materials science, physics or a related discipline.
• Extensive experience in optimizing and running scientific applications, particularly in the realm of computational materials science.
• Proficiency in parallel computing, distributed computing, and familiarity with HPC architectures and clusters.
• Strong programming skills, with proficiency in languages such as Fortran, C++, Python, and parallel programming models such as MPI, OpenMP, and/or OpenACC.
• Experience with profiling and performance analysis tools to identify and address bottlenecks.
• Knowledge of supercomputing environments and experience with batch scheduling systems (e.g., Slurm, Torque, PBS).
• Excellent problem-solving skills and the ability to work collaboratively with interdisciplinary teams.
• Strong communication skills to convey complex HPC concepts to a non-technical audience and provide technical support to users.
• A commitment to staying up-to-date with the latest HPC technologies and trends to continuously improve VASP's performance on modern computing systems.

What we offer:

At VASP Software GmbH, we are committed to providing our team members with a rewarding and stable career. As part of the VASP team, you'll enjoy a competitive income and the vibrant atmosphere of Vienna, Austria. While we offer flexibility with home office arrangements, we place a premium on a healthy office culture and do not endorse pure remote work. Unlike the uncertainty of short-term contracts in academia, our positions offer long-term job security. You will have the opportunity to pursue scientific projects and contribute to the growth of computational materials science while being part of a dynamic and dedicated team.

How to Apply:

If you are enthusiastic about VASP and possess the qualifications and skills we are looking for, we'd love to hear from you! Please write a motivational letter expressing what makes you the ideal candidate. Send this letter along with a curriculum vitae and a list of all publications to [email protected]  (subject: Job application) and in cc to [email protected]. Preselection of candidates will begin November 27, although we might accept applications later if the positions are not yet filled.

Deadline for Applications: November 27, 2023

VASP Software GmbH is an equal-opportunity employer. We encourage applications from candidates of all backgrounds. Join our team and help shape the future of computational materials science by making VASP more accessible and user-friendly. Your expertise and passion can make a real difference!