36 Gromacs Jobs - Page 2

You will be joining our team as a System Development Engineer focusing on the Hybrid Scientific Computing Stack. A strong background in computer science and software development is required for this role, and knowledge of quantum computing would be an added advantage. Your responsibilities will include working on backend services such as FastAPI, Celery, OAuth, PostgreSQL, and Redis. You will also be involved in hybrid job orchestration using tools like Celery, RabbitMQ, Slurm, and Kubernetes. Containerized workflows using Docker, Singularity, and Helm will be part of your tasks. Monitoring and observability tasks will involve tools like Prometheus, Grafana, Loki, and Flower. Cloud-based dep...

You will be joining our team as a Systems Development Engineer for the Hybrid Scientific Computing Stack. A strong background in computer science and software development is essential for this role, with knowledge of quantum computing considered a valuable asset. Your responsibilities will include managing backend services such as FastAPI, Celery, OAuth, PostgreSQL, and Redis. You will also be involved in hybrid job orchestration using tools like Celery, RabbitMQ, Slurm, and Kubernetes, as well as working on containerized workflows with Docker, Singularity, Helm, and Kubernetes. Monitoring and observability tasks will involve tools like Prometheus, Grafana, Loki, and Flower. Additionally, yo...

About the job: We are seeking a skilled Data Platform Engineer with expertise in High-Performance Computing (HPC) and cloud computing to support our scientific research activities globally (Canada, US, France and Germany mostly). The ideal candidate will have experience in managing and optimizing Linux-based HPC environments, as well as proficiency in AWS cloud services. This role involves collaborating with various R&D groups to provide technical support and drive continuous improvements in our computing infrastructure. The candidate should be adept at handling both open-source and commercial software across different R&D fields. What you will be doing: Support in-silico activities in the B...

Senior HPC/AI Applications Engineer Experienced HPC/AI Applications Engineer with 5+ years in High-performance computing and AI application deployment. Expert at architecting, optimizing, and benchmarking CPU/GPU-intensive environments, ensuring maximum efficiency in scientific and ML workloads. Mastery over Open-source and Commercial HPC/AI Applications. Deep experience installing, benchmarking, and fine-tuning open-source applications, libraries, and compilers across CPU and GPU platforms. Proficient deploying and optimizing and benchmarking scientific codes (WRF, OpenFOAM, LAMMPS, GROMACS, Quantum Espresso, VASP, NAMD, BLAST, GATK, Ansys, Abaqus, MATLAB, LS‑DYNA, Nastran, CAE/CFX) etc. Co...

Hi, We have an immediate requirement for HPC/AI Application Engineer position with our organization SHI Locuz Enterprise Solutions Pvt Ltd. PFB Job details: Work Location - Pune/Mumbai/Bangalore Work Experience - 6+years(relevant) Subject Matter Expert Skills Required- HPC Application Installation & Deployment, AI Application Deployment. PFB JD for your reference: Senior HPC/AI Applications Engineer Experienced HPC/AI Applications Engineer with 5+ years in High-performance computing and AI application deployment. Expert at architecting, optimizing, and benchmarking CPU/GPU-intensive environments, ensuring maximum efficiency in scientific and ML workloads. Mastery over Open-source and Commerc...

Join Amgen’s Mission of Serving Patients At Amgen, if you feel like you’re part of something bigger, it’s because you are. Our shared mission—to serve patients living with serious illnesses—drives all that we do. Since 1980, we’ve helped pioneer the world of biotech in our fight against the world’s toughest diseases. With our focus on four therapeutic areas –Oncology, Inflammation, General Medicine, and Rare Disease– we reach millions of patients each year. As a member of the Amgen team, you’ll help make a lasting impact on the lives of patients as we research, manufacture, and deliver innovative medicines to help people live longer, fuller happier lives. Our award-winning culture is collabo...

Join us and contribute to the discovery of medicines that will impact lives! Hyderabad, India | Hybrid | Full-Time About Aganitha High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and, in the near future, the materials design industry. As a Scientist at Aganitha, you will be instrumental in leveraging cuttin...

Join us and contribute to the discovery of medicines that will impact lives! Hyderabad, India | Hybrid | Full-Time About Aganitha High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and, in the near future, the materials design industry. As a Scientist at Aganitha, you will be instrumental in leveraging cuttin...

Overview: Molecule AI, an innovative AI-based drug discovery company, seeks a Computational Scientist skilled in molecular modelling, molecular dynamics (MD) simulations, and machine learning for drug discovery. This role involves developing and evaluating computational methods for molecular property prediction, utilising molecular modelling for drug discovery, and working with AI models for de novo drug design. Relevant areas of experience include the direct application of MD to drug discovery, computer-aided drug design, molecular modelling and medicinal chemistry. Specific knowledge of any of these areas is less critical, and higher weightage will be placed on solid research skills and a ...

Position Summary: We are seeking a highly motivated individual with expertise in computational chemistry to join our team as a Postdoctoral Fellow or Scientist, depending on experience level. The position will involve applying advanced computational methods to design, optimize, and analyze small molecules and their interactions with biological targets, contributing to drug discovery and disease modeling efforts. The successful candidate will have a PhD in computational chemistry, cheminformatics, physical chemistry, or a related field, with a deep understanding of molecular modeling, simulations, and structure-activity relationships. Fresh PhD graduates will be hired as Postdoctoral Fellows ...

Design and execute MD simulations of proteins in various solvent environments Prepare protein structures, system setup, solvation, and equilibration Perform a comprehensive analysis of MD trajectories to extract meaningful dynamic insights Required Candidate profile Hands-on experience with molecular dynamics simulations Experience with GROMACS (topology generation, mdrun, analysis tools) or other MD packages (AMBER, NAMD, OpenMM)