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How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions?, , , , и . WACV, стр. 1340-1349. IEEE Computer Society, (2018)Differential geometry based solvation model I: Eulerian formulation., , и . J. Comput. Phys., 229 (22): 8231-8258 (2010)Data-driven molecular modeling with the generalized Langevin equation., , , и . J. Comput. Phys., (2020)Constructing Surrogate Models of Complex Systems with Enhanced Sparsity: Quantifying the Influence of Conformational Uncertainty in Biomolecular Solvation., , , , и . Multiscale Modeling & Simulation, 13 (4): 1327-1353 (2015)Finite element solution of the steady-state Smoluchowski equation for rate constant calculations., , , , , и . Biophys. J., 86 (4): 2017--2029 (апреля 2004)Data-driven parameterization of the generalized Langevin equation., , и . CoRR, (2016)Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers., , , , , , , , , и 2 other автор(ы). CoRR, (2019)Domain-specific languages for composing signature discovery workflows., , , , и . DSM@SPLASH, стр. 61-64. ACM, (2012)Annotating the structure and components of a nanoparticle formulation using computable string expressions., , , и . BIBM Workshops, стр. 889-894. IEEE Computer Society, (2012)Continuum diffusion reaction rate calculations of wild-type and mutant mouse acetylcholinesterase: adaptive finite element analysis., , , и . Biophys. J., 87 (3): 1558--1566 (сентября 2004)