Job Description

Schrodinger is a science and technology leader with over 30 years of experience developing software solutions for physics-based and machine learning-based chemical simulations and predictive analyses.



We're seeking an application-focused

Materials Informatics & Optoelectronics Scientist

to join us in our mission to improve human health and quality of life through the development, distribution, and application of advanced computational methods. As a member of our Materials Science team, you'll have the opportunity to work on diverse projects in optoelectronics, catalysis, energy storage, semiconductors, aerospace, and specialty chemicals.

Who will love this job:

A statistical and machine learning expert with robust problem-solving skills A materials science enthusiast who's familiar with RDkit, MatMiner, Dscribe, or other informatics packages A proficient Python programmer and debugger who's familiar with machine learning packages like Scikit-Learn, Pandas, NumPy, SciPy, and PyTorch An experienced researcher with hands-on experience in extracting datasets using large language models (LLM) or Optical Character Recognition (OCR) technologies A specialist in quantum chemistry or materials science who enjoys collaborating with an interdisciplinary team in a fast-paced environment

What you'll do:

Research, curate, and analyze datasets from literature and other sources using advanced techniques such as LLMs and OCR. Work with domain experts to ensure the accuracy and quality of data (such as molecular structures, SMILES strings, experimental measurements, etc) Develop and validate predictive machine learning models for OLED devices and other optoelectronic applications Communicate results and present ideas to the team Develop tools and workflows that can be integrated into commercial software products Validate existing Schrodinger machine learning products using public datasets or internally generated datasets

What you should have:

A PhD in Chemistry or Materials Science Hands-on experience with the application of machine learning, neural networks, deep learning, data analysis, or chemical informatics to materials and complex chemicals Experience with LLM, OCR technologies, and the extraction of datasets for ML model development



As an equal opportunity employer, Schrodinger hires outstanding individuals into every position in the company. People who work with us have a high degree of engagement, a commitment to working effectively in teams, and a passion for the company's mission. We place the highest value on creating a safe environment where our employees can grow and contribute, and refuse to discriminate on the basis of race, color, religious belief, sex, age, disability, national origin, alienage or citizenship status, marital status, partnership status, caregiver status, sexual and reproductive health decisions, gender identity or expression, or sexual orientation. To us, "diversity" isn't just a buzzword, but an important element of our core principles and key business practices. We believe that diverse companies innovate better and think more creatively than homogenous ones because they take into account a wide range of viewpoints. For us, greater diversity doesn't mean better headlines or public images - it means increased adaptability and profitability.