Pavan Subramani started doing molecular dynamics simulations for computational drug discovery alongside his high school coursework, sparking an interest in a STEM career.
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We introduce Stability-Aware Boltzmann Estimator (StABlE) Training for Machine Learning Force Fields (MLFFs), which enables refinement of MLFFs using system observables (obtained via high-fidelity ...
What if the vast amounts of data generated by molecular dynamics simulations could be routinely shared and reused? A new €10 ...
More than 20% of the workload on the world's 500 fastest supercomputers is spent simulating how atoms and molecules move—with applications ranging from material design to identifying drug interactions ...
A new study reveals the dynamics of photosynthesis at the cellular level. Led by co-authors Professor Barry Bruce and ...
In cellular biology, G Protein-Coupled Receptors (GPCRs) play a pivotal role in signal transduction, comprising the largest family of eukaryotic membrane ...
Otaniemi Center for Atomic-scale Materials Modeling (OCAMM), hosted by the Department of Chemistry and Materials Science (CMAT). The positions to be filled are part of a new project funded by Business ...
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