Postdoctoral Researcher
Baltimore, MD · On-site
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 ...
Postdoctoral Researcher
Baltimore, MD · On-site
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 ...
Postdoctoral Researcher
Baltimore, MD · On-site
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 ...
Postdoctoral Researcher
Baltimore, MD · On-site
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 ...
Demonstrated expertise with molecular dynamics, Monte Carlo, and/or kinetic simulation software and frameworks (LAMMPS, GROMACS, OpenMM, HOOMD, etc.). * Solid programming skills and experience with ...
Demonstrated expertise with molecular dynamics, Monte Carlo, and/or kinetic simulation software and frameworks (LAMMPS, GROMACS, OpenMM, HOOMD, etc.). * Solid programming skills and experience with ...
Familiarity with atomistic simulation software and libraries (e.g., VASP, LAMMPS, ASE, Pymatgen, etc.). Bonus Points For * Strong publication record in in silico materials discovery, simulation-AI ...
Familiarity with atomistic simulation software and libraries (e.g., VASP, LAMMPS, ASE, Pymatgen, etc.). Bonus Points For * Strong publication record in in silico materials discovery, simulation-AI ...
Automation Engineer, Materials Research Science
Redmond, WA · On-site
$184K - $257K/yr
... LAMMPS, ASE) and high-performance computing (HPC) environments • Experience with retrieval-augmented generation (RAG), knowledge graphs, or scientific literature mining in the context of lab ...
Automation Engineer, Materials Research Science
Redmond, WA · On-site
$184K - $257K/yr
... LAMMPS, ASE) and high-performance computing (HPC) environments • Experience with retrieval-augmented generation (RAG), knowledge graphs, or scientific literature mining in the context of lab ...
Extensive experience with MD simulation tools such as NAMD, GROMACS, AMBER, or LAMMPS, and visualization tools (e.g., VMD, PyMOL) * Experience working on high-performance computing (HPC) systems
Extensive experience with MD simulation tools such as NAMD, GROMACS, AMBER, or LAMMPS, and visualization tools (e.g., VMD, PyMOL) * Experience working on high-performance computing (HPC) systems
Research Scientist, AI Research
Boston, MA · On-site
$116K - $182.27K/yr
PhD-level background in all-atom molecular dynamics simulations (LAMMPS, GROMACS, OpenMM) with automated high-throughput workflow management. * Direct collaboration with medicinal chemistry teams in ...
Research Scientist, AI Research
Boston, MA · On-site
$116K - $182.27K/yr
PhD-level background in all-atom molecular dynamics simulations (LAMMPS, GROMACS, OpenMM) with automated high-throughput workflow management. * Direct collaboration with medicinal chemistry teams in ...
For the lower length scale work we use LAMMPS, SPPARKS, and VASP. Students wishing to develop software that are unfamiliar with C++ will be required to take a C++ programming class during their ...
For the lower length scale work we use LAMMPS, SPPARKS, and VASP. Students wishing to develop software that are unfamiliar with C++ will be required to take a C++ programming class during their ...
Familiarity with atomistic simulation tools (VASP, Gaussian, LAMMPS, ASE) or cheminformatics libraries * Publications at peer-reviewed ML or domain conferences * Experience with retrieval-augmented ...
Familiarity with atomistic simulation tools (VASP, Gaussian, LAMMPS, ASE) or cheminformatics libraries * Publications at peer-reviewed ML or domain conferences * Experience with retrieval-augmented ...
AI Research Scientist - Agentic AI for Materials Discovery
Redmond, WA · On-site
$184K - $257K/yr
... LAMMPS, ASE) or cheminformatics libraries • Publications at peer-reviewed ML or domain conferences • Experience with retrieval-augmented generation, knowledge graphs, or scientific literature ...
AI Research Scientist - Agentic AI for Materials Discovery
Redmond, WA · On-site
$184K - $257K/yr
... LAMMPS, ASE) or cheminformatics libraries • Publications at peer-reviewed ML or domain conferences • Experience with retrieval-augmented generation, knowledge graphs, or scientific literature ...
Experience with commercial or open-source engineering tools such as COMSOL, Abaqus, STAR-CCM+, Flow3D, OpenFOAM, MOOSE, LAMMPS, MATLAB, CREO, SolidWorks, Siemens NX, Catia, AutoCAD, or related tools.
Experience with commercial or open-source engineering tools such as COMSOL, Abaqus, STAR-CCM+, Flow3D, OpenFOAM, MOOSE, LAMMPS, MATLAB, CREO, SolidWorks, Siemens NX, Catia, AutoCAD, or related tools.
Experience with commercial or open-source engineering tools such as COMSOL, Abaqus, STAR-CCM+, Flow3D, OpenFOAM, MOOSE, LAMMPS, MATLAB, CREO, SolidWorks, Siemens NX, Catia, AutoCAD, or related tools.
Experience with commercial or open-source engineering tools such as COMSOL, Abaqus, STAR-CCM+, Flow3D, OpenFOAM, MOOSE, LAMMPS, MATLAB, CREO, SolidWorks, Siemens NX, Catia, AutoCAD, or related tools.
Familiarity with computational chemistry or materials science tools (DFT, MD, LAMMPS, ASE) and high-performance computing (HPC) environments * Experience with retrieval-augmented generation (RAG ...
Familiarity with computational chemistry or materials science tools (DFT, MD, LAMMPS, ASE) and high-performance computing (HPC) environments * Experience with retrieval-augmented generation (RAG ...
Postdoctoral Research Associate, Atomistic Simulations & AI-Driven Molecular Modeling
Oak Ridge, TN · On-site
Hands-on experience with MD simulation tools such as NAMD, GROMACS, AMBER, or LAMMPS, and visualization tools (e.g., VMD, PyMOL) * Experience working on high-performance computing (HPC) systems
Postdoctoral Research Associate, Atomistic Simulations & AI-Driven Molecular Modeling
Oak Ridge, TN · On-site
Hands-on experience with MD simulation tools such as NAMD, GROMACS, AMBER, or LAMMPS, and visualization tools (e.g., VMD, PyMOL) * Experience working on high-performance computing (HPC) systems
Post-Doctoral Associate - Aerospace - OpenKIM/CollabFit
$56.48K - $67.11K/yr
LAMMPS, ASE) * Experience developing ML methods and familiarity with standard ML libraries (e.g. PyTorch) * Experience with first principles calculations * Contribution to open source efforts (in ...
Post-Doctoral Associate - Aerospace - OpenKIM/CollabFit
$56.48K - $67.11K/yr
LAMMPS, ASE) * Experience developing ML methods and familiarity with standard ML libraries (e.g. PyTorch) * Experience with first principles calculations * Contribution to open source efforts (in ...
Exper ience applying atomistic simulation tools (e.g., LAMMPS, VASP, or similar) to challenges in materials science or engineering. * Relevant materials expertise demonstrated by * Previous work with ...
Exper ience applying atomistic simulation tools (e.g., LAMMPS, VASP, or similar) to challenges in materials science or engineering. * Relevant materials expertise demonstrated by * Previous work with ...
2026 New College Grad - Computational Chemist / Materials Scientist (Machine Learning - Reactive ...
Santa Clara, CA · On-site
$138K - $190K/yr
ASE, LAMMPS, VASP, or similar tools * Workflow frameworks (FireWorks, AiiDA, etc.) * Exposure to graph neural networks (GNNs) and equivariant architectures. * Industry experience in materials ...
2026 New College Grad - Computational Chemist / Materials Scientist (Machine Learning - Reactive ...
Santa Clara, CA · On-site
$138K - $190K/yr
ASE, LAMMPS, VASP, or similar tools * Workflow frameworks (FireWorks, AiiDA, etc.) * Exposure to graph neural networks (GNNs) and equivariant architectures. * Industry experience in materials ...
Hands-on experience with MD simulation tools such as NAMD, GROMACS, AMBER, or LAMMPS, and visualization tools (e.g., VMD, PyMOL) * Experience working on high-performance computing (HPC) systems
Hands-on experience with MD simulation tools such as NAMD, GROMACS, AMBER, or LAMMPS, and visualization tools (e.g., VMD, PyMOL) * Experience working on high-performance computing (HPC) systems
Extensive experience with MD simulation tools such as NAMD, GROMACS, AMBER, or LAMMPS, and visualization tools (e.g., VMD, PyMOL) * Experience working on high-performance computing (HPC) systems
Extensive experience with MD simulation tools such as NAMD, GROMACS, AMBER, or LAMMPS, and visualization tools (e.g., VMD, PyMOL) * Experience working on high-performance computing (HPC) systems
Research Scientist I/II, Statistical Mechanics and Dynamics
Cambridge, MA · On-site
$176K - $234K/yr
Demonstrated expertise with molecular dynamics, Monte Carlo, and/or kinetic simulation software and frameworks (LAMMPS, GROMACS, OpenMM, HOOMD, etc.). * Solid programming skills and experience with ...
Research Scientist I/II, Statistical Mechanics and Dynamics
Cambridge, MA · On-site
$176K - $234K/yr
Demonstrated expertise with molecular dynamics, Monte Carlo, and/or kinetic simulation software and frameworks (LAMMPS, GROMACS, OpenMM, HOOMD, etc.). * Solid programming skills and experience with ...
Lammps information
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 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 is the difference between Lammps vs Molecular Dynamics Engineer?
| Aspect | Lammps | Molecular Dynamics Engineer |
|---|---|---|
| Required Credentials | Knowledge of simulation software, basic programming skills | Degree in chemistry, physics, or materials science; experience with MD software |
| Work Environment | Research labs, computational centers | Research institutions, industrial R&D, academia |
| Employer & Industry Usage | Used by scientists for simulations | Designs 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.
More about Lammps jobs
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What states have the most Lammps jobs? States with the most job openings for Lammps jobs include:
What job categories do people searching Lammps jobs look for? The top searched job categories for Lammps jobs are:
Johns Hopkins Medicine rating
7.5
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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 innovating clean hydrogen production, waste-heat conversion, nuclear power, and energy storage.
Qualifications
A. Doctorate in materials science, physics, chemistry, computer 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 peerreviewed, 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, aflow.org repositories.
I. Citizens of China, Russia, North Korea, and Iran are not permitted to participate.
Graduate students near the completion of their Ph.D. are welcome to apply.
Application Instructions
Submit a single PDF file via Interfolio named "Lastname_Firstname_S4E_202508.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 (entropy4energy at jhu.edu); subject line must contain "S4E Post-Doc".
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 innovating clean hydrogen production, waste-heat conversion, nuclear power, and energy storage.
Qualifications
A. Doctorate in materials science, physics, chemistry, computer 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 peerreviewed, 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, aflow.org repositories.
I. Citizens of China, Russia, North Korea, and Iran are not permitted to participate.
Graduate students near the completion of their Ph.D. are welcome to apply.
Application Instructions
Submit a single PDF file via Interfolio named "Lastname_Firstname_S4E_202508.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 (entropy4energy at jhu.edu); subject line must contain "S4E Post-Doc".
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Baltimore, MD, US
Year founded
1889