
Molecular Dynamics Simulations Engineer
We are looking for an experienced and passionate Molecular Dynamics Simulations Engineer to join the team at Los Alamos National Laboratory. The ideal candidate should possess a deep understanding of computational mathematics and have proven experience working with molecular dynamics simulations. We are seeking a creative problem solver and an individual who is eager to join a collaborative and diverse team of professionals. The Molecular Dynamics Simulations Engineer will be responsible for developing and deploying innovative computational models, as well as utilizing existing tools to simulate and analyze molecular dynamics data. In this role, the successful candidate will be expected to explore and develop novel solutions to complex problems.To be successful in this role, the ideal candidate should have a Ph.D. in Computational Mathematics or a related field with at least 3-5 years of experience working with molecular dynamics simulations. The candidate should also have a deep understanding of molecular dynamics methods, software, and algorithms, as well as a solid knowledge of scripting languages, such as Python. The successful candidate should also have experience with high-performance computing and distributed computing systems. A proven track record of successfully collaborating with multiple stakeholders to achieve desired results is essential.
Responsibilities:
- Develop and deploy innovative computational models for molecular dynamics simulations.
- Utilize existing tools to simulate and analyze molecular dynamics data.
- Explore and develop novel solutions to complex problems.
- Utilize scripting languages, such as Python, to optimize simulation performance.
- Work with high-performance computing and distributed computing systems.
- Collaborate with multiple stakeholders to achieve desired results.
- Ensure accuracy and completeness of data analytics, simulations, and results.
- Monitor and maintain the integrity of molecular dynamics simulations.
- Monitor system performance and take necessary measures to ensure optimal performance.
- Present results of simulations and analyses to stakeholders and colleagues.
Or Related Field
Physics
Chemistry
Ph.d. In Computational Science
Proficiency In Molecular Dynamics Software Packages Such As Lammps
Gromacs
Or Namd
Experience With High-Performance Computing (Hpc) Systems And Parallel Programming Paradigms
Knowledge Of Modern Force Fields And Molecular Mechanics Techniques
Demonstrated Ability To Develop And Implement Advanced Algorithms And Numerical Methods
Programming
Troubleshooting
Data Analysis
Visualization
System Design
Computer modeling
Mathematics
Scientific computing
Molecular Dynamics
Monte Carlo simulations
Simulations
Computational Chemistry
Force Field Calculations
Parallel Processing
Interatomic Potentials
Communication
Leadership
Time management
Interpersonal Skills
creativity
Attention to detail
Teamwork
Positive Attitude
Adaptability
Problem-Solving
According to JobzMall, the average salary range for a Molecular Dynamics Simulations Engineer in Los Alamos, NM 87544, USA is $60,000 to $130,000 per year. The salary range is dependent on a variety of factors, including education, experience, and job responsibilities.
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Los Alamos National Laboratory is a United States Department of Energy national laboratory initially organized during World War II for the design of nuclear weapons as part of the Manhattan Project. It is located a short distance northwest of Santa Fe, New Mexico, in the southwestern United States.

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