William A. Goddard

发表

Fast Ewald sums for general van der Waals potentials

Zhuo-Min Chen, Tahir Çagin, William A. Goddard, 1997, J. Comput. Chem..

Massively Parallel Constrained Force Algorithm for MD Simulation of Polymers and Dendrimers

Tahir Cagin, William A. Goddard, Amir Fijani, 1997 .

Molecular Electronic Computing Architectures

Sergey Edward Lyshevski, Donald W. Brenner, William A. Goddard, 2002 .

The impact of supercomputing capabilities on U.S. materials science and technology

John R. Smith, Robert W. Dutton, Wilhelm G. Wolfer, 1989, Future Gener. Comput. Syst..

An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations

William A. Goddard, Daniel R. Fisher, IV DavidR.Kent, 2008, J. Comput. Chem..

Predicted Structures for Kappa Opioid G-Protein Coupled Receptor Bound to Selective Agonists

Hongwei Tan, William A. Goddard, Guangju Chen, 2015, J. Chem. Inf. Model..

Efficient algorithm for “on‐the‐fly” error analysis of local or distributed serially correlated data

William A. Goddard, Richard P. Muller, IV DavidR.Kent, 2007, J. Comput. Chem..

Computing Approximate Eigenpairs of Symmetric Block Tridiagonal Matrices

Wilfried N. Gansterer, Robert C. Ward, William A. Goddard, 2003, SIAM J. Sci. Comput..

Atomic-level simulation and modeling of biomacromolecules

William A. Goddard, Nagarajan Vaidehi, W. Goddard, 2001 .

Molecular dynamics for very large systems on massively parallel computers: The MPSim program

Sharon Brunett, Kian-Tat Lim, William A. Goddard, 1997 .

Contributions of Molecular Modeling to Nanometer-Scale Science and Technology

Sergey Edward Lyshevski, Donald W. Brenner, William A. Goddard, 2002 .

The MPSim‐Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals

William A. Goddard, Art E. Cho, Peter M. Kekenes-Huskey, 2005, J. Comput. Chem..

A Fast Algorithm for Massively Parallel, Long-Term, Simulation of Complex Molecular Dynamics Systems

Amir Fijany, Tahir Çagin, William A. Goddard, 1997, PARCO.

Structure-Based Prediction of Subtype Selectivity of Histamine H3 Receptor Selective Antagonists in Clinical Trials

William A. Goddard, Soo-Kyung Kim, Ravinder Abrol, 2011, J. Chem. Inf. Model..

Prediction of the crystal packing of di‐tetrazine‐tetroxide (DTTO) energetic material

Qi An, William A. Goddard, Jose L. Mendoza-Cortes, 2016, J. Comput. Chem..

First Principles based methods and applications for realistic simulations on complex soft materials to develop new materials for energy, health, and environmental sustainability

William A. Goddard, 2013 .

DEVELOPMENT OF ON-LINE INSTRUMENTATION AND TECHNIQUES TO DETECT AND MEASURE PARTICULATES

Sheng Wu, William A. Goddard, Yongchun Tang, 2003 .

Development of the Third Generation JPL Electronic Nose for International Space Station Technology Demonstration

April D. Jewell, William A. Goddard, Margie L. Homer, 2007 .

MOLECULAR DYNAMICS SIMULATION ON COMMODITY SHARED-MEMORY MULTIPROCESSOR SYSTEMS WITH LIGHTWEIGHT MULTITHREADING

Hao Li, Tahir Cagin, John Thornley, 2007 .

Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications

William A. Goddard, Ravinder Abrol, Vaclav Cvicek, 2016, PLoS Comput. Biol..

Dynamic Charge Equilibration‐Morse stretch force field: Application to energetics of pure silica zeolites

Tahir Çagin, William A. Goddard, Jan Sefcik, 2002, J. Comput. Chem..

THEORETICAL DESCRIPTION OF THE VALENCE EXCITED STATES OF $CO_{2}$

William A. Goddard, N. W. Winter, Sandor Trajmar, 1972 .

Molecular dynamics for very large systems on massively parallel computers: The MPSim program

Stephen Taylor, Sharon Brunett, Kian-Tat Lim, 1997, J. Comput. Chem..

Large‐scale, long‐term nonadiabatic electron molecular dynamics for describing material properties and phenomena in extreme environments

Qi An, William A. Goddard, Andrés Jaramillo-Botero, 2011, J. Comput. Chem..

Computational Prediction and Biochemical Analyses of New Inverse Agonists for the CB1 Receptor

William A. Goddard, Ravinder Abrol, Caitlin E. Scott, 2015, J. Chem. Inf. Model..

DEVELOPMENT OF ON-LINE INSTRUMENTATION AND TECHNIQUES TO DETECT AND MEASURE PARTICULATES

Sheng Wu, William A. Goddard, Yongchun Tang, 2005 .

Nanocomputer Architectronics and Nanotechnology

Sergey Edward Lyshevski, Donald W. Brenner, William A. Goddard, 2002 .

Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1

William A. Goddard, Soo-Kyung Kim, W. Goddard, 2014, Journal of Computer-Aided Molecular Design.

3D Structure Prediction of TAS2R38 Bitter Receptors Bound to Agonists Phenylthiocarbamide (PTC) and 6-n-Propylthiouracil (PROP)

Jun Tan, William A. Goddard, Bartosz Trzaskowski, 2012, J. Chem. Inf. Model..

Characterization of Unknown Events Observed by the Third Generation JPL Electronic Nose Using Sensor Response Models

William A. Goddard, Margie L. Homer, Kenneth Manatt, 2010 .

Novel algorithms for massively parallel, long-term, simulation of molecular dynamics systems

Amir Fijany, William A. Goddard, Andres Jaramillo-Botero, 1998 .

De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers

Ashish Sharma, Rupak Biswas, Rajiv K. Kalia, 2008, Int. J. High Perform. Comput. Appl..

Manager–worker‐based model for the parallelization of quantum Monte Carlo on heterogeneous and homogeneous networks

Julian C. Cummings, William A. Goddard, Richard P. Muller, 2008, J. Comput. Chem..

Multiscale, multiparadigm modeling for nano systems characterization and design

William A. Goddard, Paul von Allmen, Andres Jaramillo-Botero, 2012 .

Nanoelectronic Circuit Architectures

Sergey Edward Lyshevski, Donald W. Brenner, William A. Goddard, 2002 .

Prediction of the Structure of G-Protein Coupled Receptors and of Bound Ligands with Applications for Drug Design

Youyong Li, William A. Goddard, 2008, Pacific Symposium on Biocomputing.

Quantum Monte Carlo on graphical processing units

Peter Schröder, William A. Goddard, Amos G. Anderson, 2007, Comput. Phys. Commun..

Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors

Jiyoung Heo, Youyong Li, William A. Goddard, 2011, J. Chem. Inf. Model..

Nanostructural Architectures from Molecular Building Blocks

Sergey Edward Lyshevski, Donald W. Brenner, William A. Goddard, 2002 .

A virtual test facility for simulating the dynamic response of materials

Michael Aivazis, Michael Ortiz, Joseph E. Shepherd, 2000, Comput. Sci. Eng..

Free energy and surface tension of arbitrarily large Mackay icosahedral clusters

William A. Goddard, Richard C. Flagan, Richard B. McClurg, 1995 .

Generalized orbital description of the reactions of small molecules

William A. Goddard, W. Goddard, R. Ladner, 1971 .

Molecular mechanics and molecular dynamics analysis of Drexler-Merkle gears and neon pump

Tahir Cagin, William A. Goddard, Andres Jaramillo-Botero, 1998 .

Improved Quantum Theory of Many‐Electron Systems. V. The Spin‐Coupling Optimized GI Method

William A. Goddard, W. Goddard, R. Ladner, 1969 .

The valence-bond charge-transfer-exciton model for predicting nonlinear optical properties (hyperpolarizabilities and saturation length) of polymeric materials

William A. Goddard, GuanHua Chen, W. Goddard, 1994 .

Chemisorption of Atomic Oxygen on Pt(111) from DFT Studies of Pt-Clusters

William A. Goddard, Richard P. Muller, Timo Jacob, 2003 .

Pseudospectral contracted configuration interaction from a generalized valence bond reference

Richard A. Friesner, William A. Goddard, Robert B. Murphy, 1994 .

Optimized two-electron-integral transformation procedures for vector-concurrent computer architectures

William A. Goddard, W. Goddard, D. Huestis, 1988 .

Force fields, structures, and properties of poly(vinylidene fluoride) crystals

William A. Goddard, Naoki Karasawa, N. Karasawa, 1992 .

IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS. II. THE BASIC METHOD.

William A. Goddard, W. Goddard, 1967 .

Generalized generalized gradient approximation: An improved density-functional theory for accurate orbital eigenvalues

William A. Goddard, W. Goddard, Xinlei Hua, 1997 .

Ab Initio Effective Potentials for Use in Molecular Calculations

William A. Goddard, Luis R. Kahn, W. Goddard, 1972 .

Configuration interaction studies of O3 and O+3. Ground and excited states

William A. Goddard, P. Jeffrey Hay, W. Goddard, 1975 .

Solvent Effects on the Secondary Structures of Proteins

William A. Goddard, Changmoon Park, Matt J. Carlson, 2000 .

PROTEIN FOLD DETERMINATION FROM SPARSE DISTANCE RESTRAINTS : THE RESTRAINED GENERIC PROTEIN DIRECT MONTE CARLO METHOD

William A. Goddard, Derek A. Debe, Sunney I. Chan, 1999 .

Self‐Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2

William A. Goddard, P. J. Hay, W. Goddard, 1972 .

Prediction of fullerene packing in C60 and C70 crystals

William A. Goddard, Naoki Karasawa, N. Karasawa, 1991, Nature.

VALENCE-BOND CHARGE-TRANSFER SOLVATION MODEL FOR NONLINEAR OPTICAL PROPERTIES OF ORGANIC MOLECULES IN POLAR SOLVENTS

William A. Goddard, GuanHua Chen, W. Goddard, 1994 .

Nylon 6 Crystal Structures, Folds, and Lamellae from Theory

William A. Goddard, Youyong Li, W. Goddard, 2002 .

SATURATION OF THE SECOND HYPERPOLARIZABILITY FOR POLYACETYLENES

Richard A. Friesner, William A. Goddard, R. Friesner, 1996 .