Job Description

Job Title:

Scientist II, Modeling and Simulation

The Role:

Assemiconductortechnologies advance, the roles of new materials are becoming crucial intechnologydevelopment. We intend toestablishatomistic/molecular/datamodeling and simulation capabilitiesto help us:

• Understand the chemical reactions and material properties under nano scale, which is becoming increasingly challenging and expensive toachievewith conventional approaches.

• Design, evaluate,screenand synthesizenew materials or chemical formulations applied in diversified semiconductor processes expeditiously to shorten the overall new product/new technologydevelopment cycle time.

• Extract new insights andstrengthendomain knowledge

In this role you will:

• Define problems and translate them into practical modeling and simulation projectscollaborating with different RDstaff, technologists, FAE etc. within Entegris or external customers/users

• Establish/Developatomistic modelingand simulationsolutions(DFT,DFTB,MolecularDynamics etc.)or data modeling solutionsefficiently combining different tools to help project stakeholders gain new insights and accelerate new product ornew technologydevelopment processes.

• Generate DFT training sets to fine-tune the Machine Learning Interatomic Potential (MLIP)for Molecular Dynamics modeling & simulation

• Support the evaluation and introduction of new AI-based tools for material development.

• Internalize and standardize derivative IPs (backgrounds & scenarios, models, parameters, codes, procedures, formula, calculations, etc.) of every project systematically tofacilitatethe re-use of such outcomes in other similar systems efficiently when necessary.

Traits we believe make a strong candidate:

• Good communicationskills in both Mandarin and English

• Ateam player able to work with different stakeholders in diversified task forces.

• Basic understanding of semiconductor processes

• M.S. / Ph.D. in Chemistry, Materials Science, Chemical Engineering, Physics, or a related field of study specializing in computational chemistry and/or molecular dynamics (MD, MLIP, DFT, DFTB etc.). 

• Proficiencyinestablishingatomistic/molecular/datamodels and simulations with commercial software or open-source software effectively and efficiently.

• Familiarity with LINUX environments and at least one of the following modeling & simulation tools (LAMMPS, GROMACS, Quantum ESPRESSO, CP2K, VASP, xTB, COSMO-RS/SAC, etc.).

• Knowledge of open-source AI tools for material development (ChemProp, MLIP, FM4M, AiZynthFinder etc.) as well as other state-of-the-art AI/ML algorithms/architectures (Transformer, Message-passing, Self-attention...).

• Coding skills (Python or C/C++. Python preferred) to develop codes for AI/ML applications within various projects (MD modeling & simulation, data modeling, material informatics, etc.).

• Knowledge/Experiences in molecular design, retrosynthesis, data  modeling or material informatics is a plus.

Your success will be measured by:

• Ability toteam with diversified stakeholderstoprobetheirneedsanddefine the problems

• Ability todesign/developmodeling & simulation solutions for technical issues andconvert them into practical modeling and simulation projects.

• Determination to attackdifficultproblemsanddeliver high quality modeling and simulation resultsin a timely manner

• Dedication to improving modeling and simulation results continually by polishing the models/calibrating the directions based on stakeholders’feedbackand needs.

• Curiosityto exploreand internalizenew modeling and simulation approaches/technologies

• Creativityto applymodeling & simulationindifferent products/solutions/processesin the corporate

• Agrowth mindset to grow himself/herselfand the teamcontinually.