1910genetics

Computational Theoretical Chemist I

Boston, MA · Internship

Sponsorship not specifiedDetected 176 days ago

AWSAzureMachine LearningData SciencePharmacologyResearchCollaboration

About the role

We hire top 1% talent to join our interdisciplinary team of scientists, engineers, researchers, operators, innovators, drug developers, business professionals, and technologists.
Computation is revolutionizing drug discovery.

Proficiency in analyzing molecular such as solvation free energy, dipole moments, vibrational frequencies, electrostatic potential, charge distribution, and more
Deep knowledge of implicit and explicit solvent models, with extensive experience modeling solvent effects on molecular systems and chemical reactions in various environments
Experience working with HPC Clusters and cloud-based services like (e.g., Microsoft AZURE, AWS)
Ph.D. in computational chemistry or related discipline
In-depth knowledge and hands-on experience with quantum chemical (QC) methods, including semi-empirical and density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both standard MD and enhanced sampling techniques such as metadynamics, umbrella sampling, and replica exchange MD, free energy simulations such as FEP and TI, and QM/MM methodologies for small and large molecular systems
Strong understanding of key concepts, including potential energy surfaces (PES), intermolecular and intramolecular forces/interactions, force fields, molecular, thermodynamic, solvation models (implicit/explicit), and conformational sampling
Extensive experience in using and troubleshooting software tools for QC calculations (e.g., ORCA, xTB, CREST, etc.), MD simulations (e.g., GROMACS, OpenMM, etc.), Drug Design Development Packages (e.g., EG, Schrodinger, MOE, CRESSET)

While 1910 supports visa sponsorship, sponsorship opportunities may be limited to certain roles and skills.

This listing is sourced directly from 1910genetics's careers page and normalized into a canonical job model.