Scientific Software Engineer

Programming.com; Boston (MA); On-site; USD 120,000 - 170,000; Full time

Job summary

Programming.com in Boston is seeking researchers who can bridge computational chemistry, scientific software, and AI/LLMs to advance scientific workflows. You will develop workflows, optimize model performance, and apply AI agents to reaction prediction and collaboration with co-scientists.

A PhD-level research background is valued, but not required. The role emphasizes hands-on engineering and scientific computing in a collaborative environment.

Qualifications

• Deep expertise in at least one area: computational chemistry, scientific software, or AI/LLMs.
• Background in computational chemistry, cheminformatics, scientific computing, or AI/ML for science.
• Strong software engineering skills, ideally with scientific or chemistry-focused tools.
• PhD-level research experience is valued, but not required.

Responsibilities

• Develop and improve computational chemistry and biology workflows
• Investigate and troubleshoot scientific model performance
• Work with chemical and biochemical reaction modeling and scientific software libraries
• Apply AI/LLM agents to scientific use cases such as reaction prediction and AI co-scientists

Skills

Computational chemistry

Scientific software

AI/LLMs

Education

PhD-level research experience

Job description

Do you work where computational chemistry, scientific software, and AI/LLMs meet? We're looking for someone who can bring research-level science and hands-on engineering together.

You'll:

• Develop and improve computational chemistry and biology workflows


• Investigate and troubleshoot scientific model performance


• Work with chemical and biochemical reaction modeling and scientific software libraries


• Apply AI/LLM agents to scientific use cases such as reaction prediction and AI co-scientists

You bring:

• Deep expertise in at least one of these areas: computational chemistry, scientific software, or AI/LLMs, plus working knowledge of the others


• A background in computational chemistry, cheminformatics, scientific computing, or AI/ML for science


• Strong software engineering skills, ideally with scientific or chemistry-focused tools


• PhD-level research experience is valued, but not required

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