26 Gromacs Jobs

We are seeking a highly skilled and motivated Scientist with a PhD in Computational Biology, Computational Chemistry, or Bioinformatics to join our team in Bengaluru. The ideal candidate will have 0.6 to 4 years of experience and will be responsible for leading a team to achieve project goals and manage both industrial and academic projects successfully.

As an Intern in Computational Biology at Quantumzyme, you will engage in various bioinformatics and computational biology projects. This role provides a valuable opportunity to gain hands-on experience and contribute to scientific research. About the Role: We are seeking a talented and motivated Computational Biology Intern to join our team. As an intern, you will have the opportunity to contribute to cutting-edge research projects, learn from experienced scientists, and develop your skills in computational biology and bioinformatics. Responsibilities: Data Analysis: Analyze large-scale biological datasets, including genomic, transcriptomic, and proteomic data. Bioinformatics Tools: Utilize ...

Position Overview We are looking for a motivated Backend Systems Engineer to join our team. Candidates should have a strong background in computer science and software development. Knowledge of quantum computing is a plus. Key Responsibilities • Design and develop robust, scalable, and secure backend services using Python (FastAPI/Django/Flask) and async frameworks. • Implement RESTful APIs following best practices in OpenAPI/Swagger, versioning, validation (Pydantic), and error handling. • Architect and manage job orchestration systems using Celery, RabbitMQ/Redis, and integrate with various compute backends. • Build and maintain authentication & authorization mechanisms, leveraging JWT, OA...

As a Senior Scientist at Quantumzyme in Bengaluru, Karnataka, India, you will play a crucial role in leading a team to achieve project goals in the field of biocatalysis. Quantumzyme is a company dedicated to revolutionizing chemical production processes, making them more sustainable and cost-effective. Key Responsibilities: - Lead and mentor a team to ensure project success. - Develop and execute creative project plans, proactively troubleshoot experimental issues. - Apply in-depth knowledge in Molecular Modelling, Docking, Molecular Mechanics, Quantum Mechanics, Molecular Dynamics Simulation, and QM/MM Simulations. - Understand protein structure, function, dynamics, and engineering. - Prof...

Job Title: Computational Structural Biologist Experience: Fresher to 2 years Location: Delhi JD for Computational Structural Biology Team We are seeking a talented and enthusiastic COMPUTATIONAL STRUCTURAL BIOLOGIST to join our innovative team. As part of our team, you will have the opportunity to work on cutting-edge projects that have a significant impact on patient care and medical research. Responsibilities: Computer aided drug discovery for hit identification. Protein engineering de novo protein design and computational evaluation Develop and implement computational models to study protein structures. Computational antibody engineering Conduct molecular docking, dynamics simulations, an...

As a Scientist at Quantumzyme in Bengaluru, Karnataka, India, you will be responsible for leading a team to achieve project goals and successfully manage both industrial and academic projects. Your key responsibilities will include: - Leading and mentoring a team to ensure project success. - Developing and executing creative project plans, proactively troubleshooting experimental issues. - Applying in-depth knowledge in Molecular Modelling, Docking, Molecular Mechanics, Quantum Mechanics, Molecular Dynamics Simulation, and QM/MM Simulations. - Understanding protein structure, function, dynamics, and engineering. - Proficiency in Fortran, C, C++, Perl, and Python. - Teaching and training team...

L2 Skill HPC Engineer with Application Expertise Role Overview: An L2 HPC (High-Performance Computing) Engineer with an application skillset is responsible for supporting, troubleshooting, and maintaining HPC infrastructure and assisting users with scientific and engineering applications. They operate between infrastructure and application layers, ensuring optimal performance and availability of both. Core Responsibilities: HPC Cluster Support: Manage day-to-day operations of HPC clusters (Slurm, PBS, LSF), monitor jobs, and node health, and manage user issues at L2. Application Support & Optimization: Support scientific/engineering applications (ANSYS, Gaussian, GROMACS, OpenFOAM, etc.) inc...

Hi, We have an immediate requirement for HPC Applications Engineer with our organization SHI Locuz Enterprise Solutions Pvt Ltd. PFB JD L2 Skill HPC Engineer with Application Expertise Role Overview: An L2 HPC (High-Performance Computing) Engineer with an application skillset is responsible for supporting, troubleshooting, and maintaining HPC infrastructure and assisting users with scientific and engineering applications. They operate between infrastructure and application layers, ensuring optimal performance and availability of both. Core Responsibilities: HPC Cluster Support: Manage day-to-day operations of HPC clusters (Slurm, PBS, LSF), monitor jobs, and node health, and manage user issu...

Job Description: We are seeking a highly skilled and motivated Structural Biologist to join our drug discovery programs. The ideal candidate will bring deep expertise in macromolecular structure determination and modeling, with a focus on elucidating protein structures, analyzing ligand binding, and driving rational drug design in collaboration with computational and medicinal chemistry teams. Key Responsibilities: Analyze protein-ligand interactions to inform medicinal chemistry and lead optimization efforts. Conduct molecular dynamics (MD) simulations and free energy calculations to evaluate complex stability and binding energetics. Apply structural insights to guide hit-to-lead and lead o...

Job Description: • We are seeking a highly skilled and motivated Structural Biologist to join our drug discovery programs. The ideal candidate will bring deep expertise in macromolecular structure determination and modeling, with a focus on elucidating protein structures, analyzing ligand binding, and driving rational drug design in collaboration with computational and medicinal chemistry teams. Key Responsibilities: • Analyze protein-ligand interactions to inform medicinal chemistry and lead optimization efforts. • Conduct molecular dynamics (MD) simulations and free energy calculations to evaluate complex stability and binding energetics. • Apply structural insights to guide hit-to-lead an...

The candidate should be a MSc or MTech (Bioinformatics/Computational Chemistry) graduate with 2-4 years of experience. The annual salary will be as per market standard and the location of the job is Bengaluru. As a member of the team, you will play a key role in achieving project goals for both industrial and academic projects. You will be responsible for developing creative project plans and proactively troubleshooting any problems that may arise during experiments. Core skills required for this position include knowledge and experience in Modelling, Docking, and Molecular Dynamics simulation. Additionally, you should have a basic understanding of protein structure, function, dynamics, and ...

Job Description: HPC Architect – Stealth AI Startup Location: Remote Experience: 5+ Years in High-Performance Computing (HPC) Type: Full-Time About Us: Join our innovative stealth AI startup, driving breakthroughs in Artificial Intelligence and High-Performance Computing (HPC). We are a well-funded company with an exceptional leadership team, dedicated to solving complex problems and pushing the boundaries of AI. We are looking for highly skilled HPC Architects passionate about optimizing scientific applications, designing scalable HPC systems, and developing AI-powered solutions. Responsibilities: Optimize and port scientific and AI/ML applications to harness maximum performance on HPC syst...

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 Bos...

You should be an individual with an MSc or MTech degree in Bioinformatics or Computational Chemistry, coupled with 2 to 4 years of experience in the field. Your responsibilities will include being an integral part of a team dedicated to accomplishing project goals successfully, encompassing both industrial and academic projects. It will be your duty to devise innovative project plans for each project under your supervision, and you should demonstrate proactive troubleshooting abilities to handle any experimental challenges that may arise. Your core skills should revolve around expertise in Modelling, Docking, and Molecular Dynamics simulation. Additionally, you should possess a foundational ...

Our client collaborates with some of the world’s leading AI research labs to build advanced language models that simulate expert reasoning. We are looking for experienced professionals in Biological Sciences, Bioengineering, Biomedical Engineering, Biochemistry, or Biophysics to join a unique AI training initiative. Position: Life Sciences & Biomedical Experts – AI Trainer Type: Hourly Contract (Remote) Compensation: $45–$75/hour Location: Fully remote & asynchronous Duration: 10–20 hrs/week, 1–2 months (extension possible) Role Overview As an AI Trainer, you will leverage your scientific expertise to help train advanced AI systems. You’ll develop prompts, validate AI-generated outputs, and ...

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 ...