Scientific Computing Administrator / HPC Engineer

JOB TITLE: HPC / Scientific Support (No C2C, only W2)
LOCATION: Remote from the USA
INDUSTRY: Pharmaceutical


JOB SUMMARY: Theoris is looking to hire an HPC Application & Data Support Engineer in a customer-facing role responsible for supporting researchers and scientific teams in high-performance computing environments. This position balances hands-on application support with HPC infrastructure and data services, helping users run computational workflows, manage GPU resources, and maintain scientific software and data pipelines. The role works closely with internal HPC teams and external vendors to ensure reliable, efficient, and secure research computing operations.

RESPONSIBILITIES:

• Onboard and support researchers in HPC environments, assisting with job submission, workflow execution, and troubleshooting.
• Administer and support HPC scheduling systems, including Schrödinger Jobserver deployment, configuration, upgrades, and multi-site support.
• Manage GPU compute resources, including allocation, access, and utilization monitoring.
• Support computational chemistry and molecular modeling workflows using tools such as Schrödinger Suite, Gromacs, Amber, MOE, and related applications.
• Install, configure, compile, and maintain scientific and research software in HPC environments.
• Manage research data storage and movement, including Isilon, AWS S3, data cleanup, and archiving.
• Collaborate with HPC infrastructure teams and external vendors to resolve issues, support upgrades, and evaluate new tools.
• Support lab data pipelines and cloud integration initiatives, including AWS POCs and Starfish-based workflows.
• Serve as a customer-facing technical partner to researchers and scientific users.

REQUIREMENTS:

• Strong experience supporting HPC environments, including job schedulers, compute clusters, and GPU workloads.
• Hands-on experience with scientific and computational chemistry applications, including installation, configuration, and troubleshooting.
• Ability to perform application setup, compilation, and environment configuration on Linux-based systems.
• Experience managing research data storage systems and data movement workflows.
• Familiarity with cloud storage or integration (AWS S3 or similar).
• Strong Linux command-line skills and scripting for operational support.
• Excellent customer-facing communication skills with the ability to support researchers and scientific users.
• Ability to work across teams and with external vendors in a collaborative research environment.

Best-In-Class-Benefits : We are in the people business; treating people right is our ONLY priority. Theoris Services consultants are full-time employees with full benefits, including:

• Robust Health Insurance
• 401(k) plan
• PTO
• Paid holidays

About Theoris: Our goal is to Fuel Your Career! As a Theoris team member, you join a culture based on people-centered values and an environment that fosters both personal and professional growth. We build long-term relationships with our clients and our consultants. With over 30 years of building strong relationships in the industry, we're uniquely positioned to make the right connections. This knowledge is used to find the right job placement. Our recruiting teams are experts dedicated to the information technology and engineering staffing space and are highly respected by our client base.


JOB TITLE: HPC / Scientific Support (No C2C, only W2)
LOCATION: Remote from the USA
INDUSTRY: Pharmaceutical


JOB SUMMARY: Theoris is looking to hire an HPC Application & Data Support Engineer in a customer-facing role responsible for supporting researchers and scientific teams in high-performance computing environments. This position balances hands-on application support with HPC infrastructure and data services, helping users run computational workflows, manage GPU resources, and maintain scientific software and data pipelines. The role works closely with internal HPC teams and external vendors to ensure reliable, efficient, and secure research computing operations.

RESPONSIBILITIES:

• Onboard and support researchers in HPC environments, assisting with job submission, workflow execution, and troubleshooting.
• Administer and support HPC scheduling systems, including Schrödinger Jobserver deployment, configuration, upgrades, and multi-site support.
• Manage GPU compute resources, including allocation, access, and utilization monitoring.
• Support computational chemistry and molecular modeling workflows using tools such as Schrödinger Suite, Gromacs, Amber, MOE, and related applications.
• Install, configure, compile, and maintain scientific and research software in HPC environments.
• Manage research data storage and movement, including Isilon, AWS S3, data cleanup, and archiving.
• Collaborate with HPC infrastructure teams and external vendors to resolve issues, support upgrades, and evaluate new tools.
• Support lab data pipelines and cloud integration initiatives, including AWS POCs and Starfish-based workflows.
• Serve as a customer-facing technical partner to researchers and scientific users.

REQUIREMENTS:

• Strong experience supporting HPC environments, including job schedulers, compute clusters, and GPU workloads.
• Hands-on experience with scientific and computational chemistry applications, including installation, configuration, and troubleshooting.
• Ability to perform application setup, compilation, and environment configuration on Linux-based systems.
• Experience managing research data storage systems and data movement workflows.
• Familiarity with cloud storage or integration (AWS S3 or similar).
• Strong Linux command-line skills and scripting for operational support.
• Excellent customer-facing communication skills with the ability to support researchers and scientific users.
• Ability to work across teams and with external vendors in a collaborative research environment.

Best-In-Class-Benefits : We are in the people business; treating people right is our ONLY priority. Theoris Services consultants are full-time employees with full benefits, including:

• Robust Health Insurance
• 401(k) plan
• PTO
• Paid holidays

About Theoris: Our goal is to Fuel Your Career! As a Theoris team member, you join a culture based on people-centered values and an environment that fosters both personal and professional growth. We build long-term relationships with our clients and our consultants. With over 30 years of building strong relationships in the industry, we're uniquely positioned to make the right connections. This knowledge is used to find the right job placement. Our recruiting teams are experts dedicated to the information technology and engineering staffing space and are highly respected by our client base.

All qualified applicants will receive consideration for employment without regard to age, race, color, religion, sex, sexual orientation, gender identity, national origin, disability, or status as a protected veteran. Rate of pay within the stated range will depend on the qualification of the applicant.