Computational Chemist

Who We Are

Applied Materials is a global leader in materials engineering solutions used to produce virtually every new chip and advanced display in the world. We design, build and service cutting-edge equipment that helps our customers manufacture display and semiconductor chips – the brains of devices we use every day. As the foundation of the global electronics industry, Applied enables the exciting technologies that literally connect our world – like AI and IoT. If you want to push the boundaries of materials science and engineering to create next generation technology, join us to deliver material innovation that changes the world. 

What We Offer

Location:

Bangalore,IND

You’ll benefit from a supportive work culture that encourages you to learn, develop, and grow your career as you take on challenges and drive innovative solutions for our customers. We empower our team to push the boundaries of what is possible—while learning every day in a supportive leading global company. Visit our Careers website to learn more. 

At Applied Materials, we care about the health and wellbeing of our employees. We’re committed to providing programs and support that encourage personal and professional growth and care for you at work, at home, or wherever you may go. Learn more about our benefits. 

Key Responsibilities:

• Chemistry and materials design for screening and optimization applications with special emphasis on at least one of the following areas: polymeric materials formation and viscosity, precursor design for purity of deposition, ALD and CVD reactions of molecules in gas phase and on surfaces
• Recommend atomic-scale changes to structure and/or processing conditions to influence observed properties
• Scope the diverse cutting-edge materials and chemistry discovery tools on the market for potential future value and prioritize what methods warrant further exploration
• Evaluate a variety of MLIP’s for validation required property prediction and potential extend to fine-tuning of MLIP’s for increased accuracy.
• Explore various molecule and chemistry focused featurization and ML to determine which can add practical value to drive R&D
• Hypothesize and test mechanisms to determine the root-cause of observed behavior
• Work effectively with external vendor software providers in testing new features and functionality of new products
• Work effectively with internal multi-disciplinary teams of experimentalists, modelers, and computing infrastructure support teams
• Demonstrate analytical and engineering judgement to scope and assess the appropriate level of model required
• Proactively validate/correlate results with real world data to improve models
• Present complex in-depth technical material in a concise manner
• Advocate for the power of modeling while also communicating limitations
• Serve as a business unit chemistry, materials, or physics expert
• Provide parameters, inputs, and/or guidance for higher-level process, feature, and reactor models

Background/Skills:

• Extensive experience with First Principles/Ab-initio/Density Functional Theory (local orbital and plane wave), Molecular Dynamics, and/or Monte Carlo methods
• Extensive experience with machine learning interatomic potentials both at the training stage and inference stage.  Experience with both universal and focused approaches a plus.
• Experience with polymer modeling workflows from polymer structure creation including branching and cross-linking to property prediction especially with a focus on non C-based polymers
• Experience with ML/AI tools (PyTorch, scikitLearn, Chemprop, SMILES, RDKit, LLM, GNN, etc.), scripting (python, Linux), programming (C, Fortran, etc.), and databases (SQL, MongoDB, etc.)
• Knowledge of informatics, artificial intelligence, machine learning, and data science approaches

Additional Information

Time Type:

Full time

Employee Type:

Assignee / Regular

Travel:

Yes, 10% of the Time

Relocation Eligible:

Yes

Applied Materials is an Equal Opportunity Employer. Qualified applicants will receive consideration for employment without regard to race, color, national origin, citizenship, ancestry, religion, creed, sex, sexual orientation, gender identity, age, disability, veteran or military status, or any other basis prohibited by law.