Helgi Adalsteinsson

A Simulator for Large-Scale Parallel Computer Architectures

Curtis L. Janssen, Helgi Adalsteinsson, Scott Cranford et al. · International Journal of Distributed Systems and Technologies · 2010 · 122 citations

Cluster Computing, Engineering, Computer Architecture +18

Uncertainty Quantification in MD Simulations. Part II: Bayesian Inference of Force-Field Parameters

Francesco Rizzi, Habib N. Najm, Bert Debusschere et al. · Multiscale Modeling and Simulation · 2012 · 76 citations

Engineering, Uncertain Data, Computational Chemistry +23

Uncertainty Quantification in MD Simulations. Part I: Forward Propagation

Francesco Rizzi, Habib N. Najm, Bert Debusschere et al. · Multiscale Modeling and Simulation · 2012 · 64 citations

Numerical Analysis, Molecular Dynamics, Engineering +11

Calculation of the Potential Energy Surface for Intermolecular Amide Hydrogen Bonds Using Semiempirical and <i>Ab Initio</i> Methods

Helgi Adalsteinsson, Andreas H. Maulitz, Thomas C. Bruice · Journal of the American Chemical Society · 1996 · 61 citations

Hydrogen Bond Length, Engineering, Potential Energy Surface +14

PostDOCK:  A Structural, Empirical Approach to Scoring Protein Ligand Complexes

Clayton Springer, Helgi Adalsteinsson, Malin M. Young et al. · Journal of Medicinal Chemistry · 2005 · 50 citations