Coverart for item
The Resource Recent progress in quantum Monte Carlo, Shigenori Tanaka, editor, Kobe University, Kobe, Japan, Pierre-Nicholas Roy, editor, University of Waterloo, Waterloo, Ontario, Canada, Lubos Mitas, editor, North Carolina State University, Raleigh, North Carolina ; sponsored by the ACS Division of Physical Chemistry

Recent progress in quantum Monte Carlo, Shigenori Tanaka, editor, Kobe University, Kobe, Japan, Pierre-Nicholas Roy, editor, University of Waterloo, Waterloo, Ontario, Canada, Lubos Mitas, editor, North Carolina State University, Raleigh, North Carolina ; sponsored by the ACS Division of Physical Chemistry

Label
Recent progress in quantum Monte Carlo
Title
Recent progress in quantum Monte Carlo
Statement of responsibility
Shigenori Tanaka, editor, Kobe University, Kobe, Japan, Pierre-Nicholas Roy, editor, University of Waterloo, Waterloo, Ontario, Canada, Lubos Mitas, editor, North Carolina State University, Raleigh, North Carolina ; sponsored by the ACS Division of Physical Chemistry
Contributor
Editor
Subject
Language
eng
Member of
Cataloging source
DLC
Dewey number
541/.28
Illustrations
illustrations
Index
index present
LC call number
QD462.6.M66
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
NLM call number
QD462.6.M66
NLM item number
R295 2016
http://library.link/vocab/relatedWorkOrContributorName
  • Tanaka, Shigenori
  • Roy, Pierre-Nicholas
  • Mitas, Lubos
  • American Chemical Society
Series statement
ACS symposium series
Series volume
1234
http://library.link/vocab/subjectName
  • Monte Carlo method
  • Quantum chemistry
  • Catalysis
  • Many-body problem
  • Monte Carlo Method
  • Quantum Theory
  • Catalysis
  • Numerical Analysis, Computer-Assisted
  • Models, Molecular
  • Vibration
  • Hydrogen
  • Benzene
  • Entropy
  • Catalysis
  • Many-body problem
  • Monte Carlo method
  • Quantum chemistry
  • SCIENCE / Chemistry / Computational & Molecular Modeling
Label
Recent progress in quantum Monte Carlo, Shigenori Tanaka, editor, Kobe University, Kobe, Japan, Pierre-Nicholas Roy, editor, University of Waterloo, Waterloo, Ontario, Canada, Lubos Mitas, editor, North Carolina State University, Raleigh, North Carolina ; sponsored by the ACS Division of Physical Chemistry
Instantiates
Publication
Distribution
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • The Effect of Molecular Vibrations on the Binding of a Positron to Polyatomic Molecules
  • Kita, Yukiumi; Tachikawa, Masanori /
  • Quantum Monte Carlo Investigation of Two Catalytic Reaction Paths for Hydrogen Synthesis on Pt(111)
  • Absi, Noureddine; Hoggan, Philip E. /
  • Quantum Monte Carlo Calculations on the Anomeric Effect
  • Schulte, Christoph, Institute of Physical Chemistry, RWTH Aachen University, 52056 Aachen, Germany; Lüchow, Arne, Institute of Physical Chemistry, RWTH Aachen University, 52056 Aachen, Germany, Jülich Aachen Research Alliance (JARA-HPC), 52056 Aachen, Germany /
  • Fixed-Node and Fixed-Phase Approximations and Their Relationship to Variable Spins in Quantum Monte Carlo
  • Diffusion Monte Carlo Study of the Parallel Displaced Form of the Benzene Dimer
  • Gasperich, Kevin; Jordan, Kenneth D. /
  • Noncovalent Interactions by QMC: Speedup by One-Particle Basis-Set Size Reduction
  • Dubecký, Matúš /
  • Practical Diffusion Monte Carlo Simulations for Large Noncovalent Systems
  • Hongo, Kenta; Maezono, Ryo /
  • Estimating Ground State Entanglement Entropy Using Path Integral Molecular Dynamics
  • Melton, Cody A.; Mitas, Lubos /
  • Iouchtchenko, Dmitri; Roy, Pierre-Nicholas /
  • Advances in Quantum Monte Carlo {u2013} Past, Present, and Reflections on Its Future
  • Rothstein, Stuart M.; Ospadov, Egor /
  • Editors{u2019} Biographies /
  • Using CIPSI Nodes in Diffusion Monte Carlo
  • Caffarel, Michel, Lab. Chimie et Physique Quantiques, CNRS-Université de Toulouse, 118 route de Narbonne 31062 Toulouse, France; Applencourt, Thomas, Lab. Chimie et Physique Quantiques, CNRS-Université de Toulouse, 118 route de Narbonne 31062 Toulouse, France; Giner, Emmanuel, Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Ferrara, Via Ludovico Ariosto, 35 44121 Ferrara, Italy; Scemama, Anthony, Lab. Chimie et Physique Quantiques, CNRS-Université de Toulouse, 118 route de Narbonne 31062 Toulouse, France /
  • Interpolated Wave Functions for Nonadiabatic Simulations with the Fixed-Node Quantum Monte Carlo Method
  • Tubman, Norm M., Department of Chemistry, Hildebrand Hall, University of California Berkeley, Berkeley, California 94720, United States; Yang, Yubo, Department of Physics, University of Illinois Urbana-Champaign, 1101 W. Green Street, Urbana, Illinois 61801, United States; Hammes-Schiffer, Sharon, Department of Chemistry, University of Illinois Urbana-Champaign, Urbana, Illinois 61801, United States; Ceperley, David M., Department of Physics, University of Illinois Urbana-Champaign, 1101 W. Green Street, Urbana, Illinois 61801, United States /
Control code
959698401
Dimensions
unknown
Extent
1 online resource (ix, 173 pages)
Form of item
online
Isbn
9780841231788
Lccn
2016045322
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other physical details
illustrations (some color).
Specific material designation
remote
System control number
(OCoLC)959698401
Label
Recent progress in quantum Monte Carlo, Shigenori Tanaka, editor, Kobe University, Kobe, Japan, Pierre-Nicholas Roy, editor, University of Waterloo, Waterloo, Ontario, Canada, Lubos Mitas, editor, North Carolina State University, Raleigh, North Carolina ; sponsored by the ACS Division of Physical Chemistry
Publication
Distribution
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • The Effect of Molecular Vibrations on the Binding of a Positron to Polyatomic Molecules
  • Kita, Yukiumi; Tachikawa, Masanori /
  • Quantum Monte Carlo Investigation of Two Catalytic Reaction Paths for Hydrogen Synthesis on Pt(111)
  • Absi, Noureddine; Hoggan, Philip E. /
  • Quantum Monte Carlo Calculations on the Anomeric Effect
  • Schulte, Christoph, Institute of Physical Chemistry, RWTH Aachen University, 52056 Aachen, Germany; Lüchow, Arne, Institute of Physical Chemistry, RWTH Aachen University, 52056 Aachen, Germany, Jülich Aachen Research Alliance (JARA-HPC), 52056 Aachen, Germany /
  • Fixed-Node and Fixed-Phase Approximations and Their Relationship to Variable Spins in Quantum Monte Carlo
  • Diffusion Monte Carlo Study of the Parallel Displaced Form of the Benzene Dimer
  • Gasperich, Kevin; Jordan, Kenneth D. /
  • Noncovalent Interactions by QMC: Speedup by One-Particle Basis-Set Size Reduction
  • Dubecký, Matúš /
  • Practical Diffusion Monte Carlo Simulations for Large Noncovalent Systems
  • Hongo, Kenta; Maezono, Ryo /
  • Estimating Ground State Entanglement Entropy Using Path Integral Molecular Dynamics
  • Melton, Cody A.; Mitas, Lubos /
  • Iouchtchenko, Dmitri; Roy, Pierre-Nicholas /
  • Advances in Quantum Monte Carlo {u2013} Past, Present, and Reflections on Its Future
  • Rothstein, Stuart M.; Ospadov, Egor /
  • Editors{u2019} Biographies /
  • Using CIPSI Nodes in Diffusion Monte Carlo
  • Caffarel, Michel, Lab. Chimie et Physique Quantiques, CNRS-Université de Toulouse, 118 route de Narbonne 31062 Toulouse, France; Applencourt, Thomas, Lab. Chimie et Physique Quantiques, CNRS-Université de Toulouse, 118 route de Narbonne 31062 Toulouse, France; Giner, Emmanuel, Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Ferrara, Via Ludovico Ariosto, 35 44121 Ferrara, Italy; Scemama, Anthony, Lab. Chimie et Physique Quantiques, CNRS-Université de Toulouse, 118 route de Narbonne 31062 Toulouse, France /
  • Interpolated Wave Functions for Nonadiabatic Simulations with the Fixed-Node Quantum Monte Carlo Method
  • Tubman, Norm M., Department of Chemistry, Hildebrand Hall, University of California Berkeley, Berkeley, California 94720, United States; Yang, Yubo, Department of Physics, University of Illinois Urbana-Champaign, 1101 W. Green Street, Urbana, Illinois 61801, United States; Hammes-Schiffer, Sharon, Department of Chemistry, University of Illinois Urbana-Champaign, Urbana, Illinois 61801, United States; Ceperley, David M., Department of Physics, University of Illinois Urbana-Champaign, 1101 W. Green Street, Urbana, Illinois 61801, United States /
Control code
959698401
Dimensions
unknown
Extent
1 online resource (ix, 173 pages)
Form of item
online
Isbn
9780841231788
Lccn
2016045322
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other physical details
illustrations (some color).
Specific material designation
remote
System control number
(OCoLC)959698401

Library Locations

    • Ellis LibraryBorrow it
      1020 Lowry Street, Columbia, MO, 65201, US
      38.944491 -92.326012
Processing Feedback ...