Perform large scale molecular simulations to generate training data for deep learning models * Construct an open-source python-based software package that allows pretrained models to be used in ...
New
Perform large scale molecular simulations to generate training data for deep learning models * Construct an open-source python-based software package that allows pretrained models to be used in ...
New
Postdoctoral Research Associate in Computational Materials Science - Department of Chemical Engineer
Hampton, VA · On-site
$64K/yr
Demonstrated expertise in molecular dynamics simulations using LAMMPS . * Experience performing density functional theory calculations using VASP . * Strong background in atomistic modeling of ...
Postdoctoral Research Associate in Computational Materials Science - Department of Chemical Engineer
Hampton, VA · On-site
$64K/yr
Demonstrated expertise in molecular dynamics simulations using LAMMPS . * Experience performing density functional theory calculations using VASP . * Strong background in atomistic modeling of ...
AI Engineer - AI+CryoET
Ashburn, VA · On-site
This role is part of the AI+CryoET project within AI@HHMI, a multi-institutional project at the intersection of cryo-electron tomography (cryoET), molecular dynamics simulation, and machine learning.
AI Engineer - AI+CryoET
Ashburn, VA · On-site
This role is part of the AI+CryoET project within AI@HHMI, a multi-institutional project at the intersection of cryo-electron tomography (cryoET), molecular dynamics simulation, and machine learning.
PyTorch * Familiarity with atomistic simulation methods, molecular modeling, density functional theory (DFT), molecular dynamics (MD), or high-throughput computational screening workflows.
PyTorch * Familiarity with atomistic simulation methods, molecular modeling, density functional theory (DFT), molecular dynamics (MD), or high-throughput computational screening workflows.
... simulation. Work will be performed on-site at the Pentagon , pending award. Candidates must be ... Expertise in molecular biology, sequencing, PCR, cell culture * Experience with advanced techniques ...
... simulation. Work will be performed on-site at the Pentagon , pending award. Candidates must be ... Expertise in molecular biology, sequencing, PCR, cell culture * Experience with advanced techniques ...
... simulation. Work will be performed on-site at the Pentagon, pending award. Candidates must be ... Expertise in molecular biology, sequencing, PCR, cell culture * Experience with advanced techniques ...
... simulation. Work will be performed on-site at the Pentagon, pending award. Candidates must be ... Expertise in molecular biology, sequencing, PCR, cell culture * Experience with advanced techniques ...
Technical SETA - Computational Biophysics with Security Clearance
Arlington, VA · On-site
$120K - $170K/yr
Responsibilities: - Evaluates performer-designed molecular dynamics (MD) simulations, custom analytical pipelines, and scripts (Python, C++, Bash) to ensure they meet structural bioinformatics and ...
Technical SETA - Computational Biophysics with Security Clearance
Arlington, VA · On-site
$120K - $170K/yr
Responsibilities: - Evaluates performer-designed molecular dynamics (MD) simulations, custom analytical pipelines, and scripts (Python, C++, Bash) to ensure they meet structural bioinformatics and ...
AP Chemistry Tutor
Norfolk, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
AP Chemistry Tutor
Norfolk, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
College Biology Tutor
Richmond, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
College Biology Tutor
Richmond, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
AP Chemistry Tutor
Leesburg, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
AP Chemistry Tutor
Leesburg, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
College Biology Tutor
Charlottesville, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
College Biology Tutor
Charlottesville, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
AP Chemistry Tutor
Salem, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
AP Chemistry Tutor
Salem, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
College Biology Tutor
Leesburg, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
College Biology Tutor
Leesburg, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
AP Chemistry Tutor
Alexandria, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
AP Chemistry Tutor
Alexandria, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
College Biology Tutor
Norfolk, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
College Biology Tutor
Norfolk, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
College Biology Tutor
Alexandria, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
College Biology Tutor
Alexandria, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
AP Chemistry Tutor
Virginia Beach, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
AP Chemistry Tutor
Virginia Beach, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
College Biology Tutor
Salem, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
College Biology Tutor
Salem, VA · Remote
$18 - $40/hr
Deep knowledge of cell biology, molecular biology, genetics, evolution, ecology, animal and plant ... Adapts instruction using visual diagrams, virtual lab simulations, and MCAT-aligned practice to ...
AP Chemistry Tutor
Fairfax, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
AP Chemistry Tutor
Fairfax, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
AP Chemistry Tutor
Charlottesville, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
AP Chemistry Tutor
Charlottesville, VA · Remote
$18 - $40/hr
Adapts instruction using molecular models, virtual lab simulations, and AP-style free-response practice to support students building from general chemistry toward college-level analytical and ...
Molecular Simulation information
What are the key skills and qualifications needed to thrive in the Molecular Simulation position, and why are they important?
To thrive in Molecular Simulation, you need a solid background in chemistry, physics, or computational science, often at the graduate level, with expertise in molecular modeling and statistical mechanics. Familiarity with industry-standard simulation software (such as GROMACS, AMBER, or CHARMM), programming languages (like Python or C++), and high-performance computing platforms is essential. Strong analytical thinking, attention to detail, and effective communication are valuable soft skills in this role. These competencies are crucial for accurately modeling molecular systems, interpreting results, and collaborating with multidisciplinary teams in research or industry settings.
What is a Molecular Simulation job?
A Molecular Simulation job involves using computational techniques to model and analyze molecular systems at the atomic level. Professionals in this field apply physics-based algorithms and software to study material properties, chemical reactions, and biological processes. They work in industries such as pharmaceuticals, materials science, and energy to optimize product development and research. Strong skills in computational chemistry, physics, and programming are essential for this role.
What are some common challenges faced by professionals in molecular simulation roles?
Professionals in molecular simulation often encounter challenges such as optimizing computational workloads, troubleshooting simulation errors, and interpreting complex data outputs. Balancing the accuracy of simulations with computational efficiency can also be demanding, especially when working with large biomolecular systems or advanced algorithms. Additionally, staying abreast of rapidly evolving software tools and scientific methodologies requires ongoing learning and adaptation. Being able to collaborate with experimental scientists and clearly communicate results is important for integrating simulation findings into broader research projects.
What are the most commonly searched types of Molecular Simulation jobs in Virginia? The most popular types of Molecular Simulation jobs in Virginia are:
What are popular job titles related to Molecular Simulation jobs in Virginia? For Molecular Simulation jobs in Virginia, the most frequently searched job titles are:
What job categories do people searching Molecular Simulation jobs in Virginia look for? The top searched job categories for Molecular Simulation jobs in Virginia are:
Full-time
Posted 3 days ago
New
University Of Virginia rating
7.9
Based on 35 frontline employees who took The Breakroom Quiz
205th of 614 rated colleges and universities
Job description
We are seeking a Postdoctoral Research Associate (Postdoc) to develop a deep learning pipeline aimed at benchmarking alternative methods for representing proteins and protein surfaces. The Postdoc will join Dr. Camille Bilodeau's research group in the Department of Chemical Engineering at the University of Virginia and will collaborate closely with research partners within the department and at other institutions to lead and contribute to projects involving developing machine learning methods to predict protein properties, using molecular simulations to generate training data, and constructing software pipelines to interface the machine learning or molecular models with transport models.
Key Responsibilities
The Postdoc will play a critical role in advancing our understanding of protein representation in neural networks with an emphasis on surface-based representations and will develop approaches for interfacing deep learning models (trained on simulations and/or experiments) with transport models. Working collaboratively with faculty and research partners at UVA and other institutions, the Postdoc will take ownership of research activities while contributing to the broader mission of the group. Specific responsibilities include:
QUALIFICATION REQUIREMENTS
Candidates must have a Ph.D. in chemical engineering, biomedical engineering, computer science, or a closely related field by the appointment start date. Candidates with expertise in one or more of the following areas will be given priority consideration:
The successful candidate will demonstrate the ability to conduct independent research, communicate effectively across disciplinary boundaries, and work collaboratively with academic, government, and community partners. Experience mentoring students is a plus.
APPLICATION PROCEDURE
Apply online at https://jobs.virginia.edu/us and search for R0085707. and attach the following materials: (1) a cover letter, (2) a comprehensive curriculum vitae, and (3) contact information for three professional references (letters will be requested later). In your cover letter, please describe your research background and interests, how your expertise aligns with this position, and evidence of your ability to conduct independent research. If you have a manuscript currently under review or in preparation that is not yet publicly available, you are encouraged to submit it as an optional writing sample.
APPLICATION DEADLINE
Review of applications will begin on August 7, 2026, but the position will remain open until filled. The University will perform background checks on all new hires prior to employment.
The anticipated start date is September 15, 2026. A later start date may be accommodated.
This position is a one-year appointment; however, the appointment may be renewed for an additional one-year increment, contingent upon available funding and satisfactory performance.
For questions regarding this position, contact Camille Bilodeau ( cur5wz@virginia.edu ).
For questions regarding the application process, contact Rich Haverstrom, Academic Recruiter, at rkh6j@virginia.edu .
For more information on the benefits available to postdoctoral associates at UVA, visit postdoc.virginia.edu and hr.virginia.edu/benefits .
The University of Virginia is an equal opportunity employer. All interested persons are encouraged to apply, including veterans and individuals with disabilities. Learn more about UVA's commitment to non-discrimination and equal opportunity employment .
Key Responsibilities
The Postdoc will play a critical role in advancing our understanding of protein representation in neural networks with an emphasis on surface-based representations and will develop approaches for interfacing deep learning models (trained on simulations and/or experiments) with transport models. Working collaboratively with faculty and research partners at UVA and other institutions, the Postdoc will take ownership of research activities while contributing to the broader mission of the group. Specific responsibilities include:
- Develop a python-based pipeline to generate machine learning inputs from protein sequence/structure data
- Develop a Pytorch-based pipeline to predict the properties of proteins based on a wide array of protein representations including both standard and custom representations
- Perform large scale molecular simulations to generate training data for deep learning models
- Construct an open-source python-based software package that allows pretrained models to be used in combination with transport models developed by collaborators
- Lead team meetings and provide regular updates to collaborators
- Synthesize and disseminate research findings through peer-reviewed publications, technical reports, and presentations
- Mentor graduate and undergraduate students and contribute to an inclusive and collaborative research environment
- Contribute to proposal development and identification of new funding opportunities
QUALIFICATION REQUIREMENTS
Candidates must have a Ph.D. in chemical engineering, biomedical engineering, computer science, or a closely related field by the appointment start date. Candidates with expertise in one or more of the following areas will be given priority consideration:
- Deep learning
- Molecular simulations
- Biophysics of proteins
- Python-based coding/software development
The successful candidate will demonstrate the ability to conduct independent research, communicate effectively across disciplinary boundaries, and work collaboratively with academic, government, and community partners. Experience mentoring students is a plus.
APPLICATION PROCEDURE
Apply online at https://jobs.virginia.edu/us and search for R0085707. and attach the following materials: (1) a cover letter, (2) a comprehensive curriculum vitae, and (3) contact information for three professional references (letters will be requested later). In your cover letter, please describe your research background and interests, how your expertise aligns with this position, and evidence of your ability to conduct independent research. If you have a manuscript currently under review or in preparation that is not yet publicly available, you are encouraged to submit it as an optional writing sample.
APPLICATION DEADLINE
Review of applications will begin on August 7, 2026, but the position will remain open until filled. The University will perform background checks on all new hires prior to employment.
The anticipated start date is September 15, 2026. A later start date may be accommodated.
This position is a one-year appointment; however, the appointment may be renewed for an additional one-year increment, contingent upon available funding and satisfactory performance.
For questions regarding this position, contact Camille Bilodeau ( cur5wz@virginia.edu ).
For questions regarding the application process, contact Rich Haverstrom, Academic Recruiter, at rkh6j@virginia.edu .
For more information on the benefits available to postdoctoral associates at UVA, visit postdoc.virginia.edu and hr.virginia.edu/benefits .
The University of Virginia is an equal opportunity employer. All interested persons are encouraged to apply, including veterans and individuals with disabilities. Learn more about UVA's commitment to non-discrimination and equal opportunity employment .
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About University of Virginia
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The University of Virginia is distinctive among institutions of higher education. Founded by Thomas Jefferson in 1819, the University sustains the ideal of developing, through education, leaders who are well-prepared to shape the future of the nation.
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