S. M. Rothstein

发表

A comparison of three statistics packages for the apple macintosh: statfast, number cruncher, and statview

J. W. Chardine, S. M. Rothstein, 1986 .

A Green’s function used in diffusion Monte Carlo

S. M. Rothstein, J. Vrbik, 1987 .

Visualization analysis of inter-fragment interaction energies of CRP-cAMP-DNA complex based on the fragment molecular orbital method.

Yuto Komeiji, Kaori Fukuzawa, Yuji Mochizuki, 2007, Biophysical chemistry.

Bayesian statistical methods for use in mass spectral assignment

T. R. Jones, S. M. Rothstein, Lothar M. Karrer, 1983 .

Histogram filtering: A technique to optimize wave functions for use in Monte Carlo simulations

Stuart M. Rothstein, Jason R. Dwyer, Martin Snajdr, 1999 .

Efficient variance-reduction transformations for the simulation of a ratio of two means: application to quantum Monte Carlo simulations

S. M. Rothstein, H. Gordon, T. Proctor, 1982 .

Recent Advances in Quantum Monte Carlo Methods — Part II

S. M. Rothstein, W. Lester, Shigenori Tanaka, 2002 .

Mutation effects on structural stability of polyglutamine peptides by molecular dynamics simulation

S. M. Rothstein, E. Starikov, Shigenori Tanaka, 2009, Interdisciplinary Sciences: Computational Life Sciences.

Correlation coefficient and electron correlation

Frederick W. King, S. M. Rothstein, 1980 .

Infinitesimal differential diffusion quantum Monte Carlo study of CuH spectroscopic constants

S. M. Rothstein, J. Vrbik, Peter. Belohorec, 1993 .

Infinitesimal differential diffusion quantum Monte Carlo study of diatomic vibrational frequencies

S. M. Rothstein, J. Vrbik, 1992 .

Protein structure generation and elucidation: applications of automated histogram filtering cluster analysis

S. M. Rothstein, H. Gordon, 2006 .

Reduced local energy as a criterion for the accuracy of approximate H2 wave‐functions

G. F. Thomas, S. M. Rothstein, Frank Javor, 1977 .

Energy Expectation Values and the Integral Hellmann–Feynman Theorem: H2+ Molecule

S. M. Blinder, S. M. Rothstein, 1968 .

The integral Hellmann-Feynman theorem applied to hydrogen peroxide

S. M. Blinder, S. M. Rothstein, 1967 .

A method for relativistic variational Monte Carlo calculations

S. M. Rothstein, J. Vrbik, H. Bueckert, 1992 .

Mindo/3 study of substituted methylenes CCl2, HCCl, and MeCCl

S. M. Rothstein, Wai-Kee Li, 1978 .

A pure-sampling quantum Monte Carlo algorithm.

S. M. Rothstein, Egor Ospadov, 2015, The Journal of chemical physics.

Significance testing of lanthanide shift reagent data. II

W. D. Bell, S. M. Rothstein, M. F. Richardson, 1979 .

A jackknife test of homogeneity of variance with paired replicates data

Stuart M. Rothstein, W. D. Bell, William D. Bell, 1981 .

Are properties derived from variance-optimized wave functions generally more accurate? Monte Carlo study of non-energy-related properties of H2, He, and LiH

S. M. Rothstein, M. Snajdr, 2000 .

Rare gas interactions using an improved statistical method

S. M. Rothstein, G. Brual, 1978 .

Ground-state electronic properties of LiH calculated from the "Bounce" version of quantum Monte Carlo

Wai Kong Yuen, Stuart M. Rothstein, Egor Ospadov, 2014, J. Comput. Sci..

Ground-state properties of LiH by reptation quantum Monte Carlo methods.

S. M. Rothstein, Daniel G. Oblinsky, Egor Ospadov, 2011, Physical chemistry chemical physics : PCCP.

Improving reptation quantum Monte Carlo

W. K. Yuen, S. M. Rothstein, Daniel G. Oblinsky, 2009 .

Estimating the overlap of an approximate with the exact wave function by quantum Monte Carlo methods

S. M. Rothstein, M. Horník, M. Snajdr, 2000 .

Sampling the exact electron distribution by diffusion quantum Monte Carlo

Stuart M. Rothstein, Jan Vrbik, Allan L. L. East, 1988 .

Molecular orbital studies on small molecules using H2+‐type elliptical basis orbitals. Application to H2+, H2, He2++ and H3+

S. M. Rothstein, Shiv K. Gupta, C. Llaguno, 1973 .

Introduction to fixed-node quantum monte carlo

S. M. Rothstein, Egor Ospadov, Caila Bruzzese, 2019, Mathematical Physics in Theoretical Chemistry.

Molecular mechanics and all-electron fragment molecular orbital calculations on mutated polyglutamine peptides

S. M. Rothstein, Hirofumi Watanabe, M. Nakano, 2010 .

Molecular dynamics simulation study on the structural stabilities of polyglutamine peptides

Shigenori Tanaka, Hajime Ogawa, Miki Nakano, 2008, Comput. Biol. Chem..

Quadratic accuracy diffusion Monte Carlo

S. M. Rothstein, J. Vrbik, 1986 .

New formula to estimate the ground state energy, E0

G. F. Thomas, S. M. Rothstein, Frank Javor, 1976 .

Reliable diffusion quantum Monte Carlo

S. M. Rothstein, J. Vrbik, M. DePasquale, 1988 .

Quantum Monte Carlo assessment of density functionals for π-electron molecules: ethylene and bifuran

S. M. Rothstein, R. Baer, Egor Ospadov, 2018, Molecular Physics.

Valence energy in variational Monte Carlo: CuH dissociation energy

S. M. Rothstein, 1996 .

Optimization of quantum Monte Carlo wavefunctions using analytical derivatives

S. M. Rothstein, J. Vrbik, H. Bueckert, 1992 .

Statistical error of diffusion Monte Carlo

Stuart M. Rothstein, S. M. Rothstein, 1988 .

Optimal spacing and weights in diffusion monte carlo

S. M. Rothstein, J. Vrbik, 1986 .

QUANTUM MONTE CARLO STUDY OF THE STATIC ELECTRICAL PROPERTIES OF H AND He

S. M. Rothstein, M. Horník, 2002 .

Ground-state properties of the water molecule by reptation quantum Monte Carlo

W. K. Yuen, S. M. Rothstein, Daniel G. Oblinsky, 2010 .

A Survey on Reptation Quantum Monte Carlo

Wai Kong Yuen, Stuart M. Rothstein, W. K. Yuen, 2012 .

Model discrimination for rotational energy transfer in the Ar-N2 system

S. M. Rothstein, H. Gordon, B. Sanctuary, 1981 .

Time step error in diffusion Monte Carlo simulations: An empirical study

Stuart M. Rothstein, Narayan Patil, Jan Vrbik, 1987 .

Estimating the relativistic energy by diffusion quantum Monte Carlo

S. M. Rothstein, J. Vrbik, M. DePasquale, 1988 .

Padé‐Type Variational Wavefunction for H2+

S. M. Rothstein, 1971 .

Local-structural diversity and protein folding: application to all-beta off-lattice protein models.

S. M. Rothstein, P. Pan, H. Gordon, 2006, The Journal of chemical physics.

Functionally relevant protein motions: extracting basin-specific collective coordinates from molecular dynamics trajectories.

Shigenori Tanaka, S. M. Rothstein, Russell J. Dickson, 2005, The Journal of chemical physics.

Advances in quantum Monte Carlo

S. M. Rothstein, James B. Anderson, 2006 .

Comparative characterization of short monomeric polyglutamine peptides by replica exchange molecular dynamics simulation.

S. M. Rothstein, Hirofumi Watanabe, M. Nakano, 2010, The journal of physical chemistry. B.

Water-mediated interactions in the CRP-cAMP-DNA complex: Does water mediate sequence-specific binding at the DNA primary-kink site?

Shigenori Tanaka, Yuto Komeiji, Kaori Fukuzawa, 2008, Comput. Biol. Chem..

Infinitesimal differential diffusion quantum Monte Carlo: Diatomic molecular properties

S. M. Rothstein, J. Vrbik, D. Légaré, 1990 .

Efficient generation of low-energy folded states of a model protein. II. Automated histogram filtering

Stuart M. Rothstein, Heather L. Gordon, S. M. Rothstein, 2003 .

Efficient generation of low-energy folded states of a model protein

Stuart M. Rothstein, Heather L. Gordon, S. M. Rothstein, 2003 .

Unbiased expectation values from diffusion quantum Monte Carlo simulations with a fixed number of walkers.

S. M. Rothstein, Ivana Bosa, 2004, The Journal of chemical physics.

Empirical study of some non-parametric tests for dispersion of correlated data

W. D. Bell, S. M. Rothstein, Wai-Kee Li, 1982 .

Structure propensities in mutated polyglutamine peptides

S. M. Rothstein, B. VanSchouwen, Daniel G. Oblinsky, 2011, Interdisciplinary Sciences: Computational Life Sciences.