Scientist in Machine Learning and Force Fields for Batteries

Schrödinger is searching for a Battery Machine Learning Force Fields Scientist to contribute to our objective of enhancing human health and quality of life through the creation, distribution, and usage of cutting-edge computational techniques. As part of our Machine Learning team, you will play a critical role in the development of a next-generation simulation platform for battery materials and testing the boundaries of classical approximations to quantum mechanics. You will also have the opportunity to engage and cooperate with team members from a wide range of departments and fields. Who will love this job: - An innovator looking to contribute to pioneering battery chemistry simulation models - An independent researcher who enjoys collaborating with a cross-disciplinary team in a dynamic environment - A computational scientist eager to push the boundaries of atomic level simulations - An outstanding communicator and documenter with experience collaborating with teams of diverse scientists What you’ll do: - Develop new atomistic machine learning force fields with improved accuracy and generalization - Contribute to a platform for simulating chemical processes at the electrode/electrolyte interface and discovering new battery materials - Generate and train on sets of millions of quantum chemistry simulations - Apply best software engineering practices - Create scientific validation tests to ensure models continue to perform well What you’ll need: - A PhD in Chemistry, Materials Science, Chemical Engineering, Physics, or a related field - Experience in applying molecular simulation and quantum chemistry methods We’d prefer to hire someone with: - Experience developing interatomic potentials based on machine learning or classical force fields - Expertise in simulating electrode and electrolyte materials, interfaces, and ion transport - Familiarity with enhanced sampling, rare-event sampling, or transition state search methods - Proficiency in Python libraries such as NumPy, SciPy, and PyTorch Pay and perks: Schrödinger acknowledges that a company's greatness lies in its people. Therefore, we're ready to offer a competitive salary, stock options, and a broad range of benefits including healthcare (with dental and vision), a 401k, pre-tax commuter benefits, a flexible work schedule, and a parental leave program. We regularly have catered meals in the office, a relaxed but engaged company culture, and over a month of paid vacation time. Our Office Management team also organizes a myriad of fun company-wide events. Although New York is home to our largest office, we have teams all over the world. We are proud to be recognized in Crain's New York Best Places to Work, BuiltIn's NYC Best Place to Work, and Newsweek's list of America's 100 Most Loved Workplaces. Excited? Apply today and join us! As an equal opportunity employer, Schrödinger welcomes exceptional individuals for every role. Our employees are highly engaged, committed to effective teamwork, and enthusiastic about the company's mission. We greatly value the creation of a safe environment where our employees can grow and contribute, and categorically 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, sexual orientation, or any other protected characteristic. To us, "diversity" isn't merely a catchword, but an essential element of our fundamental principles and key business practices. We believe that diverse companies innovate and think more creatively than homogenous ones by incorporating a broad range of perspectives. Greater diversity means increased adaptability and profitability, not just better headlines or public image for us.