Machine Learning Computational Chemistry Jobs in Colorado

AI Data Foundation Research EngineerThis role has been designed as 'Hybrid' with an expectation that you will work on average 2 days per week from an HPE office.

Job Description:

Successful candidate will develop new methods for context discovery, retrieval, filtering, prioritization, multi-modal data representation, advanced reasoning, tool calling, and reasoning trace validation in conversational, deep research, and agentic AI workflows. Successful candidate will also work on development of capture, management, search, enhancement and interpretation of meta-data and lineage for AI pipelines that enable reproducibility, reuse and optimization of pipelines; discovery, selection and usage of relevant high quality data for trustworthy AI outcomes across multiple AI applications; development, evaluation and testing of Foundation AI models for different modalities: Natural Language Processing - NLP, Large Language Models - LLM, Time Series Analysis, Computer Vision, AI for Science, etc., and augmentation of AI models with structured knowledge (i.e., knowledge infused learning). We are particularly interested in individuals with a background in computer systems, machine learning, deep learning, statistics, generative AI, data management, and big data pipelines, with good understanding of the current state of the art, major trends and opportunities, and a demonstrated track record in innovative research. The ideal candidate can thrive in an applied research environment, balancing significant technical contributions published externally in open source with the hands-on engineering skill to bring such contributions to practice in partnering with our internal software development teams and external partners.

Must-have Requirements

• PhD in Computer Science or related fields with a focus on data engineering and data science, in particular Machine Learning, Deep Learning, and/or data management for AI, plus 3 years of relevant industry experience.
• Research experience in Generative AI, Deep Learning and Machine Learning
• Experience with advanced AI model architectures: LLMs, Time Series Foundation Models, Diffusion Models, etc.
• Expertise with end-to-end pipelines for AI and Machine Learning and in particular the data layer underlying the pipelines (e.g., DVC, Pachyderm, Common Metadata Framework)
• Experience in AI model development lifecycle, ML/deep learning frameworks and MLOps platforms (e.g. Pytorch/Tensorflow, MLFlow, Kubeflow, Ray)
• Experience with agentic AI platforms (e.g., LangGraph, CrewAI, ADK, LlamaIndex, etc.)

Preferred Skills

• Strong programming skills in Python with high proficiency in data structures and algorithms. C/C++ skills
• Experience with CI/CD code development
• Outstanding analytical and problem-solving skills
• Experience with hybrid AI-HPC workflows (e.g., AI surrogate modeling, computational steering of experiments)
• Experience with knowledge graphs and knowledge infused learning
• Expertise in research of data and workflow management systems
• Experience in system software performance and scalability optimization
• Experience with multi-threaded programming, parallel processing, OOD/OOP/distributed programming
• Experience in containerized development and orchestration tools (e.g. Kubernetes, Ezmeral)

Artificial Intelligence Technologies, Cross Domain Knowledge, Data Engineering, Data Science, Design Thinking, Development Fundamentals, Full Stack Development, IT Performance, Machine Learning Operations, Scalability Testing, Security-First Mindset

Health & Wellbeing

We strive to provide our team members and their loved ones with a comprehensive suite of benefits that supports their physical, financial and emotional wellbeing.

Personal & Professional Development

We also invest in your career because the better you are, the better we all are. We have specific programs catered to helping you reach any career goals you have - whether you want to become a knowledge expert in your field or apply your skills to another division.

Unconditional Inclusion

We are unconditionally inclusive in the way we work and celebrate individual uniqueness. We know varied backgrounds are valued and succeed here. We have the flexibility to manage our work and personal needs. We make bold moves, together, and are a force for good.

#unitedstates

Job:

Engineering

Job Level:

TCP_03"The expected salary/wage range for this position is provided below. Actual offer may vary from this range based upon geographic location, work experience, education/training, and/or skill level.
- United States of America: Annual Salary USD 126,500 - 240,500 in Colorado
The listed salary range reflects base salary. Variable incentives may also be offered."

Information about employee benefits offered in the US can be found at https://myhperewards.com/main/new-hire-enrollment.html

The estimated job application period closure is June 1 2026; this timeline is provided for transparency and internal planning purposes.

Hewlett Packard Enterprise is EEO Protected Veteran/ Individual with Disabilities.

HPE will comply with all applicable laws related to employer use of arrest and conviction records, including laws requiring employers to consider for employment qualified applicants with criminal histories.

No Fees Notice & Recruitment Fraud Disclaimer

It has come to HPE's attention that there has been an increase in recruitment fraud whereby scammer impersonate HPE or HPE-authorized recruiting agencies and offer fake employment opportunities to candidates. These scammers often seek to obtain personal information or money from candidates.

Please note that Hewlett Packard Enterprise (HPE), its direct and indirect subsidiaries and affiliated companies, and its authorized recruitment agencies/vendorswill never charge any candidate a registration fee, hiring fee, or any other fee in connection with its recruitment and hiring process.The credentials of any hiring agency that claims to be working with HPE for recruitment of talent should be verified by candidates and candidates shall be solely responsible to conduct such verification. Any candidate/individual who relies on the erroneous representations made by fraudulent employment agencies does so at their own risk, and HPE disclaims liability for any damages or claims that may result from any such communication.