We are looking for a junior\-level engineer or early\-career scientist who has studied one of the following disciplines: computer science, chemistry, physics, or materials science, and who is comfortable working across both software development and scientific domains. This is a hybrid role at the intersection of software development and scientific problem\-solving, focused on automating atomistic simulation workflows. The ideal candidate combines hands\-on programming skills with a strong interest in scientific problems, and is motivated to build robust, automated simulation pipelines. The core objective of the role is to support and progressively contribute to the automation of large\-scale simulation workflows that enable high\-throughput calculation of chemical and physical properties. This includes working with simulations on a computational cluster, interacting with distributed task queues, and helping manage results stored in databases and distributed file systems. The role involves close collaboration with simulation scientists and infrastructure teams, and offers mentorship and guidance while developing scalable, reproducible, and maintainable software systems. **Required background** * Studied computer science, chemistry, physics, materials science, or a closely related field * Clear aptitude for programming * Applies good software programming practices, including readable and maintainable code and adherence to standards such as PEP 8 * Programming experience in Python * Experience working with SQL databases, including interacting with them programmatically from Python (e.g., via ORMs or libraries such as SQLAlchemy) * Familiarity with Git for version control * Comfort working in Linux environments * Experience using Bash / shell scripting for automation * Experience working with simulation data or numerical workflows **Nice to have / strong plus** * Familiarity with Celery and Redis or similar task\-queue systems * Exposure to HPC or computational clusters * Experience managing results in databases and distributed file systems * Exposure to software development practices in scientific or engineering contexts * Awareness of reproducibility and data provenance in computational workflows * Familiarity (not deep expertise) with density functional theory (DFT) and molecular dynamics (MD) **Responsibilities** * Contribute to the implementation and maintenance of automated simulation workflows * Support job submission, monitoring, and basic troubleshooting on computational clusters * Assist in integrating task orchestration using Redis/Celery or similar systems * Help store and organize simulation inputs, outputs, and metadata in databases and distributed file systems * Collaborate with scientists to understand simulation protocols and assumptions * Create and maintain clear, appropriate documentation for workflows, code, and operational procedures * Follow best practices to ensure workflows are reproducible and traceable Tipo de puesto: Tiempo completo Sueldo: $15,000\.00 \- $25,000\.00 al mes Beneficios: * Días por enfermedad * Estacionamiento gratuito * Horarios flexibles * Seguro de gastos médicos mayores * Vacaciones adicionales o permisos con goce de sueldo Puede trasladarse/mudarse: * 44610, Lomas Del Country, Jal.: Trasladarse al trabajo sin problemas o planear mudarse antes de comenzar a trabajar (Obligatorio) Escolaridad: * Licenciatura terminada (Obligatorio) Ubicación: * 44610, Lomas Del Country, Jal. (Deseable) Lugar de trabajo: Empleo presencial