Evaluating accuracy of Hessian-based predictor-corrector integrators
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DOI: 10.1007/s11771-017-3576-8
Abstract: Direct dynamics simulations are a useful and general approach for studying the atomistic properties of complex chemical systems because they do not require fitting an analytic potential energy function. Hessian-based predictor-corrector integrators are a widely… read more here.
Keywords: predictor corrector; hessian based; corrector integrators; based predictor ... See more keywords