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 ...
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 ...
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 ...
Oak Ridge, TN · On-site
... or LAMMPS, and visualization tools (e.g., VMD, PyMOL) • Experience working on high-performance computing (HPC) systems • Demonstrated ability to conduct independent research with a good ...
Oak Ridge, TN · On-site
... or LAMMPS, and visualization tools (e.g., VMD, PyMOL) • Experience working on high-performance computing (HPC) systems • Demonstrated ability to conduct independent research with a good ...
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 ...
Austin, TX · Remote
$51.50 - $71/hr
Working knowledge of one or more domain-specific computational chemistry tools, including but not limited to GROMACS, LAMMPS, PySCF, ORCA, xtb, CREST, Quantum ESPRESSO, phonopy, pymatgen, AutoDock ...
Quick apply
Austin, TX · Remote
$51.50 - $71/hr
Working knowledge of one or more domain-specific computational chemistry tools, including but not limited to GROMACS, LAMMPS, PySCF, ORCA, xtb, CREST, Quantum ESPRESSO, phonopy, pymatgen, AutoDock ...
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 ...
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
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
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
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
$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 ...
$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 ...
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 ...
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.
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
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
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
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 ...
| 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.

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