Computational Chemistry Software Engineer

SESOnsite

At SES AI, base pay is one part of our total compensation package and is determined within a range. The base pay range for this role is between $150,000 and $250,000. SES AI considers several factors when extending an offer, including but not limited to, the role, function and associated responsibilities, a candidate’s work experience, location, education/training, and skills.

What We Offer

Company paid Health and Dental insurance (ability to add dependents)
Global travel insurance for employees traveling while on business
Company sponsored retirement plan with 100% vesting and up to 5% match.
Life and AD&D Insurance
Employee Assistance Program
Six Paid Holidays, and one floating holiday per a quarter equivalent to 4 per calendar year
10 accrued vacation days per calendar year that increases with tenure.
Bonus + Equity, based on position and eligibility requirements

Note:

SES AI benefit, compensation, and employee stock programs are subject to eligibility requirements and other terms of the applicable plan or program.

About SES AI:

SES AI Corp. (NYSE: SES) is powering the future of global electric transportation on land and in the air with the world’s most advanced Li-Metal batteries. SES AI is the first battery company in the world to accelerate its pace of innovation by utilizing superintelligent AI across the spectrum of its business, from research and development; materials sourcing; cell design; engineering and manufacturing; to battery health and safety monitoring. Founded in 2012, SES AI is an Li-Metal battery developer and manufacturer headquartered in Boston and with operations in Singapore, Shanghai, and Seoul.Learn more at SES.AI

About the Role:

The SES AI Prometheus team (AI Research) is seeking versatile Computational Chemistry Software Engineers to enhance our computational and machine learning simulation workflows. This role involves developing, optimizing, and deploying molecular simulation packages and ML models across high-performance computing (HPC) and cloud environments. You’ll work in close partnership with materials scientists to streamline density functional theory (DFT) calculations, molecular dynamic (MD) simulations, manage complex orchestration tasks, and ensure reproducibility and scalability of our software solutions.This is a remote position.

Key Responsibilities:

Code Development and Optimization: Develop, optimize, and maintain custom scripts or computational packages (e.g., in Python, Fortran, C++) to streamline molecular simulations and deploy AI models effectively. Identify and resolve computational bottlenecks for faster and more accurate simulations.
Software Deployment: Design and implement optimized workflows for the deployment of molecular simulation packages across high-performance computing (HPC) environments and cloud platforms. Ensure scalability and reliability of developed packages.
Cross-functional Collaboration: Partner closely with scientists, engineers, and AI specialists, contributing to interdisciplinary projects and translating research requirements into efficient computational solutions.
Documentation and Reproducibility: Maintain rigorous documentation standards for code, models, and deployment workflows, ensuring reproducibility and compliance with industry standards.
Mentorship and Documentation: Mentor scientists on best practices in software engineering, maintain rigorous documentation for code and deployment workflows, and uphold industry standards for reproducibility and compliance.

Qualifications:

Experiences: +3 years of computational chemistry software developer/engineer experiences
Educational Background: Ph.D. or M.S. in Computer Science, Computational Chemistry, Chemical Engineering, Materials Science, or a related field, with a focus on molecular simulations.
Technical Skills:
Proficiency in molecular dynamics packages (e.g., LAMMPS, GROMACS, CP2K, NAMD).
Advanced programming skills in Python, Fortran, and C++, with expertise in software development and test-driven practices.
Familiarity with GPU-accelerated DFT packages like GPU4PySCF and machine learning frameworks for molecular property prediction.
Experience with software package deployment, optimization, and maintenance in HPC and cloud platforms.
Knowledge of data analysis and visualization tools (e.g., NumPy, Pandas, Matplotlib), and skills in parallel computing, multi-threading, and optimizing software for performance on large datasets.
Domain Knowledge: Solid understanding of chemical interactions, thermodynamics, and statistical mechanics in molecular simulations.
Soft Skills: Strong communication skills, the ability to collaborate across disciplines, and a proactive, solution-oriented approach.

Preferred Experience:

Experience with molecular modeling tools such as Gaussian, VASP, or Quantum ESPRESSO.
Proven track record in managing and scaling computational simulations on distributed systems or clusters.
Familiarity with machine learning frameworks and the integration of AI for molecular property prediction.

Who Will Thrive in This Role:

A skilled developer passionate about molecular simulations and machine learning, with a commitment to creating efficient, scalable, and robust software solutions.
An effective problem solver who values documentation and reproducibility.
A proactive mentor and collaborator who can translate complex research needs into practical computational tools.

Life at SES

Thrive Here & What We Value12. Comply with laboratory 5S management requirements to ensure safety in the test process | 13. Assist daily management of the laboratory</s> | 1. Pursue Continuous Progress | 2. Good Team Spirit | 3. Sense of Responsibility | 4. Careful and Rigorous | 5. Foreign Project Experience Preferred</s> | Dedicated and focused team player | Collaborative mindset | Excellent organizational communication skills | Flexible work arrangements</s> | Emphasis on innovation and creativity | Focus on quality and reliability | Encourages collaboration and teamwork | Values continuous learning and improvement</s> | 1. Emphasis on innovation and creativity | 2. Collaborative work environment | 3. Continuous learning and improvement | 4. Focus on customer satisfaction | 5. Respect for individual differences</s> | 1. Dedicated and focused team members | 2. Shared vision among staff members | 3. Excellent organizational communication skills | 4. Flexible work arrangements | 5. Benefits package including 4대 보험수습기간 급여, 100% 지급, 야근수당 지급, 보너스 제도, 명절/생일 상품권 혜택, 주거지원금 제공, 월차/반차/여름 리프레쉬 휴가</s> | Able to read and write in English | Proficient in injection molding process, sheet metal processing process, surface treatment, etc. | Skilled in Solidworks, CATIA, UG and other design software</s> | 1. Collaborative Environment | 2. InnovationFocused | 4. CustomerCentric Approach | 5. ResultsDriven</s> | 2. Continuous Learning Opportunities | 3. WorkLife Balance | 4. Professional Development Support | 5. Recognition for Achievements</s> | Global travel insurance for employees traveling while on business | Company sponsored retirement plan with 100% vesting and up to 5% match | Life and AD&D Insurance | Employee Assistance Program | Six Paid Holidays, and one floating holiday per a quarter equivalent to 4 per calendar year | Bonus + Equity, based on position and eligibility requirements</s> | 1. Collaborative work environment | 2. Emphasis on innovation and creativity | 3. Continuous learning and professional growth opportunities | 4. Support for worklife balance</s> | 11. Proficient in Office, AUTOCAD and other software</s> | 11. Collaborative work environment | 12. Emphasis on innovation and creativity | 13. Opportunities for career growth and development</s> | Six Paid Holidays, and one floating holiday per a quarter equivalent to 4 per calendar year</s> | Global Electric Transportation on Land and in the Air with Li-Metal Batteries | Utilizing Superintelligent AI Across the Spectrum of Its Business | Accelerating Innovation by Harnessing Internal Expertise and Collaboration with Strong Academic Labs | Fostering Machine-Driven Innovation in Discovering Novel Materials for Lithium-Metal Battery Designs</s> | Strong learning ability | Proficient in English speaking, reading, and writing | Good English reading and writing ability and paper reading ability</s> | Quality-focused organization that values continuous improvement and customer satisfaction</s> | Bonus + Equity based on position and eligibility requirements</s> | Familiarity with mechanical design and metal processing technology | Proficient in AutoCAD, Pro-e, Solidworks and other design software | Understanding of electric control, pneumatic, hydraulic, etc</s> | Familiarity with Battery Pack Design, Testing, and Data | Experience in Battery Management System (BMS) Algorithm Development | Ability to Work Collaboratively Across Departments</s> | 2. Continuous Learning and Improvement | 3. Innovation and Creativity | 4. Customer Focus | 5. ResultsOriented</s> | 1. Strong sense of responsibility | 2. Good teamwork skills | 3. Excellent English is preferred</s> | 1. Flexible Work Schedule | 2. Bonuses for Unavoidable Overtime | 3. Support for Living Expenses | 4. Paid Vacation Days</s> | Familiar with principles and methods of organic synthesis | Familiar with chemical synthesis and distillation equipment and distillation operation | Familiar with recrystallization process and equipment | Familiar with solid-liquid separation process and equipment</s> | 1. Global Electric Transportation | 2. LiMetal Batteries | 3. Superintelligent AI Across the Spectrum of Business | 4. Accelerating Innovation through Utilizing AI | 5. Ability to Add Dependents for Health and Dental Insurance</s> | Expertise and experience in operating and maintaining analytical instruments including but not limited limited to GC, FTIR, UV-Vis, DSC, TGA, SEM, XPS, Raman, and NMR. | Experience working with moisture sensitive materials in a glovebox or dry room | Ability to analyze data and draw deeper conclusions from analytical data</s> | Robust internal controls understanding and documentation of relevant financial processes and transactions | Prior hands-on experience with the implementation and monitoring of global SOX compliance | Proactively research, analyze, and benchmark the disclosures of peer companies, competitors, and industry trends | Develop and assist with the preparation of financial materials used in presentations to the Board of Directors, Audit Committee, and Executive Management.</s> | 1. Emphasis on Continuous Improvement | 2. Collaborative Environment | 3. Focus on Innovation and Creativity | 4. Encouragement of Professional Development | 5. Strong Commitment to Safety</s> | 1. Emphasis on innovation and progressiveness | 2. Encourages teamwork and collaboration | 3. Values hard work and dedication to the job</s> | Continuous tracking of the latest technological developments | Assistance in introducing cutting-edge methods to improve application effect</s> | Focus on business research and innovation | Constantly carry out product model innovation and business iteration | Familiar with application scenarios of data product solutions in the industry</s> | 1. Promotes the Development of Customer Projects | 2. Accepts Outstanding Graduates | 3. Familiarity with the Design or Research and Development of Lithiumion Cell and Solid Cell</s> | 4. Focus on customer satisfaction and quality products | 5. Strong commitment to safety and reliability</s> | 4. Focus on quality and customer satisfaction | 5. Supportive and inclusive workplace culture</s> | Desire to learn experimental and analytical techniques | Strong focus on high energy cell design and performance optimization.</s> | Global electric transportation company with a focus on Li-Metal batteries | Utilizes superintelligent AI across the spectrum of its business | Offers comprehensive compensation package including base pay, health and dental insurance, global travel insurance, retirement plan, life and AD&D Insurance, employee assistance program, six paid holidays, and one floating holiday per quarter equivalent to four per calendar year | Emphasizes cybersecurity strategy and proactively manages threats to ensure the confidentiality, integrity, and availability of data and systems.</s> | 1. Excellent Communication and Coordination Ability | 2. Professionalism | 3. Team Management | 4. Problem Solving | 5. Risk Assessment</s> | 1. Emphasis on Innovation and Continuous Improvement | 2. Encourages Collaboration and Teamwork | 3. Focuses on Employee Development and Growth | 4. Values Quality and Accuracy in Work | 5. Promotes a Positive and Supportive Work Environment</s> | Promoting analysis and solution of trial-production, experimental quality problems, and after-sales problems | Ensuring that the project research and development process is under control | Encouraging quality target implementation at all stages of the project</s> | 1. Global travel insurance for employees traveling while on business | 2. Company sponsored retirement plan with 100% vesting and up to 5% match | 3. Life and AD&D Insurance | 4. Employee Assistance Program | 5. Six Paid Holidays, and one floating holiday per a quarter equivalent to 4 per calendar year</s>

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