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Lilly Research Engineer - Computational Chemist in Cambridge, Massachusetts

At Lilly, we unite caring with discovery to make life better for people around the world. We are a global healthcare leader headquartered in Indianapolis, Indiana. Our 35,000 employees around the world work to discover and bring life-changing medicines to those who need them, improve the understanding and management of disease, and give back to our communities through philanthropy and volunteerism. We give our best effort to our work, and we put people first. We’re looking for people who are determined to make life better for people around the world.

Lilly is passionate about the discovery, development and commercialization of potential new medicines that will impact and improve the lives of patients. Our New Therapeutic Modalities team is an innovation-focused group striving to identify, develop and apply the most cutting-edge technologies to deliver maximum benefit to our patients. Our agile and diverse team strives to operate as an autonomous ‘biotech-like’ company within the walls of Lilly.

In our fast-paced, interdisciplinary team we utilize novel RNA/oligonucleotide-based therapeutic modalities to deliver new and improved medicines to patients. We are building state-of-the art expertise in advanced drug delivery platforms for nucleic acid-based modalities, with an emphasis on innovative strategies with potential for breakthrough efficacy. We work closely with many groups across Lilly, in particular the Delivery and Device Connected Solutions group to leverage computational approaches (e.g. coarse-grained molecular dynamics (CGMD) simulations) to uncover fundamental insights and accelerate our innovations in nanomedicine (e.g., via lipid nanoparticle (LNP)delivery).

We are looking for a creative and energetic problem solver to contribute to a multidisciplinary team at the front edge of innovation. The successful applicant will utilize their technical expertise and work closely with a formulation scientist and study systems directly relevant to the experiments being performed. We welcome deep thinkers, fast learners, and team players. Do you have an aptitude for innovative approaches focused on identifying impactful therapies for the patient? We want you on our team!

Key responsibilities

  • Design and execute all-atom (AA) and coarse-grained molecular dynamics (CGMD) simulations to understand the assembly, structure, and function of lipid nanoparticle model systems relevant to therapeutic delivery.

  • Use AAMD and CGMD to test hypotheses of modified nucleic acid-based therapeutic structure and function.

  • Work as a team to analyze results, synthesize reports, and strategize new strategies to accelerate delivery of nucleic-acid-based therapeutics.

  • Collaborate cross-departmentally within Lilly as necessary

  • Present scientific strategy, experimental data, and project updates across the organization.

Educational Qualifications:

  • PhD in computational biochemistry, computational chemistry, biophysics, biomaterials, computer science or related discipline

  • Hands-on experience in coarse-grained molecular dynamic simulation highly preferred

Additional Skills/Preferences:

  • ​Excellent communication skills and the ability to work in a highly dynamic and collaborative environment

  • Experience using the MARTINI force field, experience with common molecular dynamic software programs (e.g., PackMol, Schrodinger, GROMACS, etc.)

  • Experience in lipid bilayer simulation, lipid nanoparticle simulation, nucleic acid, protein, antibody, or other macromolecule simulation or biological barrier simulation.

  • Familiarity with high-performance computing and cloud-based services

  • Programming expertise in at least one programing language

  • This position is office-based. No wet-lab experience or requirements are expected in the role, unless desired by the candidate during the duration of the appointment.

Lilly is an EEO/Affirmative Action Employer and does not discriminate on the basis of age, race, color, religion, gender, sexual orientation, gender identity, gender expression, national origin, protected veteran status, disability or any other legally protected status.

As a condition of employment with Eli Lilly and Company and its subsidiaries in the United States and Puerto Rico, you must be fully COVID-19 vaccinated and provide proof of vaccination satisfactory to the company. If you would like to request an accommodation for medical or religious reasons, you may do so at

At Lilly we strive to ensure our employees are part of a team that cares about them and our shared purpose of making life better for those around the world. How do we do this? We continue to look for ways to include, innovate, accelerate and deliver while maintaining integrity, excellence and respect for people.​ We hope that you seek to join us on our journey as we create medicine and deliver improved outcomes for patients across the globe!