Posted: Feb 14, 2026
Join Lawrence Livermore National Laboratory (LLNL) as a Computational Chemist - Research Scientist and contribute to the development of small molecule drug candidates, software development, and molecular dynamics simulations. Conduct advanced independent research, collaborate with industrial partners, and work with a team of experts in computational chemistry, physics, and biology. Requirements PhD in computer science, computational chemistry, computational physics or computational biology or equivalent combination of education and related experience. Significant experience in medical countermeasures against infectious disease. Industrial experience to design and develop small molecule drug candidates, leading to IND files, including leading technical teams. Significant experience at the postdoctoral or higher level in the protein dynamics, screening analytics, hit and lead optimization and DMPK property predictions. Ability to work independently on defined research projects, as well as a member of a team. Advanced computer skills including programming experience with perl, python, or C++ in a UNIX environment. Advanced ability to develop independent research projects as demonstrated through publication of peer-reviewed manuscripts in the field of molecular modeling and simulations. Ability to travel, as necessary, to interact with sponsors, customers and collaborators. Advanced written, verbal communication and interpersonal skills necessary to deliver presentations, prepare written reports and to interact with a diverse set of scientists, engineers, and other technical and administrative staff. Benefits Flexible Benefits Package 401(k) Relocation Assistance Education Reimbursement Program Flexible schedules (*depending on project needs) Originally posted on Himalayas