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Lammps Jobs (NOW HIRING)

Rescale

Senior Solutions Architect

$140K - $180K/yr

Experience with at least one of HPC simulation software (such as packages from ANSYS, Siemens, Dassault Systèmes, COMSOL, AVL, Altair, PTC, Cadence, Synopsys, Autodesk, OpenFOAM, LAMMPS. GROMACS ...

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Lammps information

What are some common challenges faced by professionals working with LAMMPS, and how can they be addressed?

Professionals using LAMMPS often encounter challenges such as optimizing simulation performance, managing large datasets, and troubleshooting complex input scripts. To address these, it's essential to have a strong understanding of parallel computing, scripting, and the physical principles behind the simulations. Collaborating with team members who have expertise in computational materials science and staying active in the LAMMPS user community can also help resolve issues efficiently. Regularly consulting official documentation and community forums ensures you stay updated on best practices and new features.

What is a LAMMPS job?

A LAMMPS job refers to the use of the LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) software for running molecular dynamics simulations. LAMMPS is widely used in materials science, chemistry, and physics to simulate particles at the atomic, molecular, or mesoscale. Professionals working with LAMMPS set up, execute, and analyze simulations to study material properties, chemical reactions, and physical processes. These jobs often require knowledge of scripting, computational science, and interpreting simulation data.

What are the key skills and qualifications needed to thrive as a LAMMPS Simulation Engineer, and why are they important?

To thrive as a LAMMPS Simulation Engineer, you need a strong background in materials science, physics, or chemistry, with experience in molecular dynamics and computational modeling. Proficiency in using LAMMPS software, scripting (e.g., Python or Bash), and familiarity with high-performance computing environments are typically required. Strong problem-solving skills, attention to detail, and effective communication are crucial soft skills for interpreting simulation results and collaborating with research teams. These skills ensure accurate modeling, efficient workflow, and meaningful scientific contributions in materials research and development.

What is the difference between Lammps vs Molecular Dynamics Engineer?

AspectLammpsMolecular Dynamics Engineer
Required CredentialsKnowledge of simulation software, basic programming skillsDegree in chemistry, physics, or materials science; experience with MD software
Work EnvironmentResearch labs, computational centersResearch institutions, industrial R&D, academia
Employer & Industry UsageUsed by scientists for simulationsDesigns and analyzes molecular systems in various industries

While Lammps is a software tool used for molecular dynamics simulations, a Molecular Dynamics Engineer applies such tools to develop and analyze molecular models. Lammps is a specific program, whereas a Molecular Dynamics Engineer is a professional role that may utilize Lammps among other software to conduct research and development in scientific and industrial settings.

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Infographic showing various Lammps job openings in the United States as of July 2026, with employment types broken down into 100% Full Time. Highlights an 78% Physical, and 22% Remote job distribution.
Postdoctoral Researcher

Postdoctoral Researcher

Johns Hopkins University

Baltimore, MD • On-site

Full-time

Re-posted 12 hours ago

Job description

Description
The Entropy for Energy (S4E) Laboratory at Johns Hopkins University (PI Corey Oses) has openings for postdoctoral researchers in the data-driven discovery of energy materials. Projects focus on fusion and fission materials, redox chemistry, and quantum-computing-enabled materials discovery.
Qualifications
A. Doctorate in materials science, physics, chemistry, computer science, quantum information science, or related fields.
B. Ability to move to and work at Johns Hopkins University, USA.
C. Proven track-record of first-author publications and presentations. A minimum of three peer-reviewed, first-author publications must be accessible by the S4E team.
D. Proven experience with VASP, Quantum ESPRESSO, LAMMPS, or other ab-initio codes.
E. Strong programming skills in C++ and Python and proficiency with Unix systems.
F. Ability to lead research projects and collaborate with experimentalists.
G. Fundamental understanding of thermodynamics of materials, solid-state physics, inorganic chemistry, and metallurgy at the level of theory/implementation.
H. Expertise in any of the following areas: high-entropy materials, disorder, phonons, magnetism, catalysis, machine learning/artificial intelligence, database/API development, quantum computing for materials science.
Graduate students near the completion of their Ph.D. are welcome to apply. Please provide your anticipated defense date and expected graduation date under Qualification B.
Application Instructions
Submit a single PDF file via Interfolio named "Lastname_Firstname_S4E_202606.pdf" containing a cover letter, CV, and contact information for 3 references. The cover letter should address each point of the qualifications list explicitly (i.e., A, B, C, ...). Provide ample examples and details where possible. Applications without explicit responses will not be reviewed.
OPTIONAL: DOIs for 3 recent and relevant publications can be included at the end of the packet.
Questions can be sent to the S4E team (s4e-admissions at jhu.edu); subject line must contain "S4E Post-Doc".

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