PhD, Master’s & Postdoc Opportunities in Molecular Dynamics in United States

This fellowship-based research opportunity is hosted at the United States Military Academy’s Center for Molecular Science in West Point, New York, within the DEVCOM Army Research Laboratory / ARL Research Associateship Program environment. The project area is broad and interdisciplinary, centered on fundamental and applied research in chemistry, biology, and chemical engineering with strong connections to biotechnology, materials science, human performance, neuroscience, and brain health. The ad...

This postdoctoral associate position in the Ni Lab at Virginia Tech focuses on the study of thermosensory systems in insects. The researcher will investigate molecular, cellular, and circuit-level mechanisms across multiple insect species, contributing to a project that spans sensory biology from the molecular scale to neural circuits. The role is designed for an independent and collaborative researcher who can contribute to peer-reviewed publications and external presentations while working clo...

The Wachter Lab at Dana-Farber Cancer Institute and Harvard Medical School is recruiting a postdoctoral fellow with expertise in protein biochemistry and structural biology . The lab investigates molecular mechanisms underlying transcriptional regulation in cancer , combining structural biology, protein biochemistry, and chemical biology to identify new therapeutic opportunities. Research interests include cryo-electron microscopy (cryo-EM), protein complex reconstitution, cancer biology, and mo...

Argonne National Laboratory’s Materials Science Division is recruiting a Postdoctoral Appointee in Computational Chemistry at the Argonne campus in Lemont, Illinois, USA . The project focuses on computational materials chemistry , atomistic modeling , and the behavior of soft materials under operating conditions. The successful candidate will carry out nonequilibrium molecular dynamics (NEMD) simulations using conventional force fields and machine learning potentials , including foundation model...

Postdoctoral Associate opportunity in the Department of Chemical and Biological Engineering at the University at Buffalo, working with the Monje Group on computational research at the intersection of physics, biology, and computation. The project focuses on theoretical and computational studies of lipids in biomolecular mechanisms and material properties, including lipid-protein dynamics, lipid membrane biophysics, structural biology, and related biophysical phenomena at the cell membrane. Appli...

Postdoctoral Scholar in Computational Chemistry and Machine Learning at the University of Pittsburgh . The Peng Liu group is hiring a postdoctoral scholar to work on computational chemistry for catalytic organic reactions, with a strong emphasis on mechanism discovery and predictive catalyst/reaction design. The project combines transition-metal catalysis , organic reaction mechanisms , biocatalysis , and machine learning to study C–H/C–C activation, alkene functionalization, cross-coupling, lig...

George Washington University is recruiting a Postdoctoral Associate in the Department of Chemistry for a newly funded multi-institutional project on the de novo design of functional and safer chemicals . The project combines computational/theoretical chemistry , molecular simulation , data analysis , and predictive modeling to build mechanistically grounded relationships between molecular properties and chemical function, toxicity, bioaccumulation, and environmental degradation. Initial applicat...

Iowa State University is recruiting for a Postdoc or PhD student to join a lab working on Plasmodium , the malaria parasite. The research focus is on the molecular mechanisms regulating parasite development , with a strong emphasis on parasite biology, cell biology, and malaria-related biomedical research. Position options: a Postdoctoral Research Associate role is available via the linked job posting, and prospective PhD students are invited to contact the lab directly for more information. Ins...

Oak Ridge National Laboratory (ORNL) is recruiting a Postdoctoral Research Associate in modeling reaction chemistry in condensed-phase systems . The position is based in the Chemical Dynamics Group, Chemical Transformation Section, Chemical Sciences Division, Physical Sciences Directorate at ORNL in Oak Ridge, Tennessee, United States . The research focuses on computational chemistry , reaction chemistry , molecular dynamics , statistical mechanics , Markov-state models , density functional theo...