Scientific Computing Engineer - Vernalis

Vernalis

Cambridgeshire and Peterborough

On-site

GBP 75,000 - 110,000

Full time

14 days+

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Benefits offered by this job

Generous pension contributions

Private healthcare cover

26 days annual leave

Holiday buy scheme

Flexitime

Discretionary bonus

Employee assistance programme

Enhanced family leave policies

Job summary

Vernalis in Cambridge seeks a Scientific Computing Engineer to own the research computing stack and bridge scientific inquiry with enterprise IT. You will manage HPC, Docker Swarm, and CI/CD pipelines, ensuring secure, scalable infrastructure for computational chemistry and biology workflows.

You will optimize on-premises resources, maintain Linux desktops for scientists, and align IT services with research needs while exploring hybrid cloud opportunities.

Qualifications

Expert-level knowledge of RedHat Enterprise Linux (RHEL) and SELinux policies.
Strong experience with GitLab CI/CD and container orchestration (Docker Swarm).
Proficiency with SLURM workload management and Bright Computing cluster tools.
Experience with NFS storage (EMC2) and UID/GID to SID mappings in AD environments.
Security focus: CVEs, patching, and container security best practices.
Ability to translate scientific requirements into enterprise IT configurations.

Responsibilities

Oversee health and performance of on-prem HPC cluster (Bright Computing/SLURM).
Expand Docker Swarm cluster and manage GitLab CI/CD pipelines.
Maintain Dockerised applications and CI/CD pipelines; patch and secure dependencies.
Design and maintain Linux desktop environments for researchers.
Integrate lab systems (X-ray/NMR) with secure, reliable IT services.
Develop cloud-bursting and hybrid cloud strategies with on-prem capabilities.

Skills

RHEL expertise

SELinux security

GitLab CI/CD

Docker Swarm

HPC/SLURM

Bright Computing

NFS/EMC2 storage

UID/GID to SID mappings

Security and CVEs

Communication between science and IT

Education

Science/computational degree

Tools

Docker Swarm

GitLab

Bright Computing

SLURM

RHEL

NFS/EMC2 storage

Active Directory integration

Job description

Scientific Computing Engineer – 2 year Fixed Term Position

Location: Cambridge, UK

Reports to: Principal Scientist

About Vernalis

Working within our fully equipped research laboratories in Cambridge, our established group of scientists are world leaders in multiple hit-ID technologies and structure-based drug discovery.

Our scientists develop and apply lead generation and structure-based methods to solve problems in drug discovery and have generated cell active compounds and development candidates against targets in multiple therapeutic areas including oncology, neurodegeneration, anti-infectives and inflammation.

The Role

As the Scientific Computing Engineer, you will be the architectural backbone and primary steward of our research computing ecosystem. You will bridge the gap between high-level scientific inquiry and enterprise-grade IT stability. This is a hands-on, senior technical role where you will manage a sophisticated hybrid environment—ranging from high-performance CPU/GPU clusters for computational chemistry to Dockerised application stacks—ensuring our scientists have the frictionless compute power they need to innovate. A scientific or research computing background is central to this role: you will be expected to understand the science, not just the servers.

You will act as a vital Technical Liaison, translating the agile, performance-driven requirements of the Research group into actionable, secure configurations for the Enterprise IT team.

Key Responsibilities

HPC Management: Oversee the health and performance of our on-premises HPC cluster (Bright Computing / SLURM). Optimise job scheduling and resource allocation across mixed CPU and GPU nodes for computational chemistry and ML applications.
DevOps & Container Orchestration: Lead the expansion of our Docker Swarm cluster. Manage the internal GitLab instance and architect robust CI/CD pipelines to automate the deployment of in-house scientific applications.
Application Maintenance & Security: Own the ongoing lifecycle of the full portfolio of deployed Dockerised applications and their CI/CD pipelines. Keep underlying runtimes and dependencies current (e.g. Python versions, base images and key libraries), and proactively monitor for, triage and remediate newly disclosed CVEs to keep the estate secure, patched and supportable.
Scientific Desktop Support: Design, deploy, and maintain standardised Linux desktop environments for computational chemists and structural biologists, ensuring compatibility with specialised visualisation and modelling software.
Laboratory Systems Integration: Manage the Linux environments powering critical lab equipment, including X-ray diffraction and NMR systems. Ensure high availability, secure data offloading, and robust backup protocols for these instruments.
Hybrid Cloud Strategy: Develop and execute a roadmap for "cloud-bursting" and strategic migration, balancing on-premises performance with cloud scalability where cost-effective.
Storage & Identity Integration: Partner with Enterprise IT to optimise NFS-exported storage (EMC2/Windows). Manage complex user identity mappings (UID/GID to SID) to ensure seamless data access across Linux and Windows platforms.
Inter-departmental Liaison: Translate scientific "asks" regarding networking, firewalls, and storage into technical specifications for the IT group, ensuring research velocity is maintained through suitably configured business rules and centralised user management.

Core Qualifications

Operating Systems: Expert-level knowledge of RedHat Enterprise Linux (RHEL) and SELinux security policies.
DevOps: Strong experience with GitLab CI/CD and container orchestration (Docker Swarm).
HPC Stack: Proficiency in SLURM workload management and Bright Computing cluster tools.
Storage & Identity: Experience with NFS, enterprise storage (EMC2), and managing UID/GID/SID mappings in an Active Directory environment.
Communication: Exceptional ability to translate between "Scientific Research" and "Enterprise IT" requirements.
Security: Working knowledge of vulnerability management and container security—tracking CVEs, dependency/base-image scanning, and timely patching of Dockerised services.
Scientific Background: Demonstrable experience supporting a scientific research environment (e.g. computational chemistry, structural biology or a related discipline), ideally underpinned by a degree in a scientific or computational subject.

Highly Desirable Attributes

Research Background: Previous experience as a Compute Officer (e.g., University of Cambridge or equivalent) or working within a biotech/structural biology research environment.
Scientific Domain Knowledge: Familiarity with the data requirements and software used in Computational Chemistry, NMR, or X-ray crystallography.
GPU Optimisation: Experience configuring GPU resources for Machine Learning (PyTorch/TensorFlow) and molecular dynamics.
Cloud Proficiency: Practical experience with AWS, Azure, or GCP, specifically regarding hybrid workloads or cloud migration.

Why This Role?

This is not a "siloed" IT position. You will have a direct seat at the table in the Research group, influencing how we use technology to solve complex biological problems. You will have the autonomy to shape our transition to the cloud while maintaining a high-performance, on-premises engine that supports everything from the laboratory bench to the supercomputer.

Note to Candidates:

We are looking for a "Scientific Technologist" — someone who understands that the ultimate goal of the server is the science it produces.

Why Vernalis?

At Vernalis you will be part of ‘One Team’ working in a friendly and collaborative office.

We offer a comprehensive range of benefits including: