- University of Colorado (Aurora, CO)
- …employ biochemical and biophysical methods to characterize protein functions, and use molecular dynamics simulations to understand the structural ... biochemical and biophysical methods to characterize protein functions, and use molecular dynamics simulations to understand the structural dynamics .… more
- Michigan State University (East Lansing, MI)
- …A background in biophysics or physical chemistry along with experience in molecular dynamics simulations , multi-scale approaches including coarse-grained ... proteins for small organic molecules through equilibrium and non-equilibrium classical molecular dynamics simulations in the Vermaas laboratory.… more
- University of Delaware (Newark, DE)
- …be given to applications with expertise in 1) protein dynamics ; 2) molecular dynamics simulations ; and 3) high-performance computing environments. Prior ... develop new scientific tools for the analysis of long-time and/or large-scale molecular dynamics simulations in collaboration with the PI. The Fellow will… more
- Occidental Petroleum (Houston, TX)
- …software development. · Strong mathematical and statistical skills. · Experience with molecular dynamics simulations . · Excellent communication skills for ... experience in an academic or industrial laboratory environment with a focus on molecular dynamics , Density Functional Theory, chemical data science, design of… more
- Michigan State University (East Lansing, MI)
- …the Vermaas lab leverages computational methods such as atomistic or coarse-grained molecular dynamics simulations with both classical and machine-learned ... questions around these topics. By using and developing these molecular simulation tools, the Vermaas lab seeks to create...simulation tools, the Vermaas lab seeks to create a molecular -level picture of these biological phenomena. The lab is… more
- Michigan State University (East Lansing, MI)
- …requires the development and application of advanced computational tools such as molecular dynamics simulations and novel machine learning approaches. ... Administrative Unit / College:College Of Natural Science Department:Biochemistry & Molecular Biology Cns 10032098 Sub Area:FAS- Fac./Acad Staff Salary:Salary… more
- Argonne National Laboratory (Lemont, IL)
- …research in chemical separations using computational methods, including free energy methods with molecular dynamics simulations . The position will focus on ... oral and written communication skills + Significant research experience with molecular dynamics simulations + Ability to model Argonne's core values… more
- University of Kansas (Lawrence, KS)
- …on the reactivity of the hydrated electron + Computational Methods: ab initio molecular dynamics simulations , development of machine learning, and reaction ... Completion of Ph.D. within the last three years 2. Experience in molecular dynamics 3. Experience in computer programming 4. Interest in mentoring students… more
- The University Of Texas At Dallas (Dallas, TX)
- …Chemical Engineering, Materials Science, or a closely related field. + Experience in molecular dynamics simulations , applicable to either biomolecules or ... chemists to investigate reaction mechanisms, with an emphasis on catalysis, molecular editing, and polymer upcycling. Minimum Qualifications: Ph.D in a related… more
- National Renewable Energy Laboratory (Golden, CO)
- …approaches to select for and engineer thermo-tolerant enzymes + Relevant experience with molecular dynamics simulations + Demonstrated experience in Python ... semi-supervised learning, transfer learning, etc. * use structural information, bioinformatics, molecular modeling, and / or machine learning techniques to develop… more
- Vanderbilt University (TN)
- …of those obtained via predictions from empirical models, machine learning, and molecular dynamics simulations . Key Functions and Expected Performance: ... (including but not limited to) Anticipated lab work duties: * Reliable and precise sample handling, including storage and preparation * Quality-conscious and precise working methods * Proper time management to meet deadlines * Enjoy working and troubleshooting… more
- Massachusetts Institute of Technology (Cambridge, MA)
- …macro-scale thermophysical simulations ; strong working knowledge of nano-micro simulations ( molecular dynamics , density functional theory), statistical ... and computational predictions and fingerprints, and connect the atomistic simulations to macroscopic (mostly experimentally determined) properties. Job Requirements… more
- Harvard University (Cambridge, MA)
- …and polymer electrolytes. Methods will combine first principles, molecular dynamics , enhanced sampling, and stochastic simulations with state of the ... 1. Scientific software engineering of machine learning potentials for large scale molecular dynamics . We are developing equivariant neural network models NequIP… more
- Michigan State University (East Lansing, MI)
- …collaborative drug design projects. Description of duties: Conducting and analyzing molecular simulations . Communicating research in conference presentations and ... skills. Desired Qualifications Experience with enhanced sampling methods for molecular dynamics . Experience with machine learning. Required Application… more
- University of North Carolina- Chapel Hill (Chapel Hill, NC)
- …is looking for two highly motivated Postdoctoral fellows to work on accelerated molecular simulations and AI-driven drug discovery. Research projects in the Miao ... python, Fortran, C++ and CUDA ), expertise in computational modeling (such as Molecular Dynamics , virtual screening, free energy calculations and Deep Learning),… more
- Bosch (Cambridge, MA)
- …communication and teamwork skills **Desired Qualification:** + Experience in atomistic simulations , preferably density-functional theory, molecular dynamics , ... and transport phenomena on an atomic level using both quantum and classical simulations . Strong focus is placed on development and application of computational and… more
- Bosch (Watertown, MA)
- …in atomistic simulations , including at least one of: density-functional theory, molecular dynamics , and quantum chemistry + Solid foundations in materials ... and transport phenomena on an atomic level using both quantum and classical simulations . Strong focus is placed on development and application of computational and… more
- New York University (NY)
- …research topics involve studying the effect of force in biophysical contexts using molecular simulations and studying self-assembly at the colloidal scale. The ... scripting, use of various sized computing resources, and skills running common Molecular Dynamics packages such as Gromacs, Amber, LAMMPS, or similar. The ideal… more
- NVIDIA (Santa Clara, CA)
- …of science & engineering: weather/climate challenges, product design, digital twins, molecular dynamics , novel materials, accelerated drug development, etc. What ... with new insights to develop and enhance NVIDIA's deep learning technologies with focus on simulations What we need to see: + BS or MS degree (PhD preferred) in… more
- Argonne National Laboratory (Lemont, IL)
- …occurring at the surface of various materials. In addition, computational fluid dynamics (CFD) simulations combined with microkinetic modeling will be carried ... out to study the heat transfer of the reaction process. This research is closely aligned with the corresponding experimental studies. **Position Requirements** + Comprehensive understanding of quantum mechanics and electronic structure theory is critical +… more