Scalable Time-Parallelization of Molecular Dynamics Simulations in Nano Mechanics Yanan Yu Ashok Srinivasan

Source URL: www.cs.fsu.edu

• Parallel computing
• Applied mathematics
• Scientific modeling
• Molecular dynamics
• Molecular modelling
• Theoretical computer science
• Automatic parallelization
• Speedup
• Simulation
• Computational chemistry
• Computing
• Science

VOLUME 85, NUMBER 24 PHYSICAL REVIEW LETTERS 11 DECEMBER 2000

Source URL: samarcanda.phys.uniroma1.it

• State functions
• Theoretical physics
• Magnetic ordering
• Spin glass
• Thermodynamic equilibrium
• Entropy
• Temperature
• Physics
• Chemistry
• Thermodynamics

Microsoft Word - Harris.doc

Source URL: www.qtp.ufl.edu

• Theoretical chemistry
• Crystal
• Quantum chemistry
• Hartree–Fock method
• ACES
• Ab initio quantum chemistry methods
• Anthony E. Siegman
• ReaxFF
• Chemistry
• Science
• Computational chemistry

University of Illinois at Urbana-Champaign Beckman Institute for Advanced Science and Technology Theoretical and Computational Biophysics Group Computational Biophysics Workshop Stretching Deca-alanine

Source URL: www.ks.uiuc.edu

• Molecular modelling
• Molecular dynamics
• NAMD
• Simulation
• Hydrogen bond
• Visual Molecular Dynamics
• Chemistry
• Science
• Computational chemistry

Article title: Theoretical prediction of a highly conducting solid electrolyte for sodium batteries: Na10GeP2S12 Authors: Vinay S. Kandagal, Mridula Dixit Bharadwaj and Umesh V. Waghmare DOI: C5TA01616A Web link:

Source URL: www.cstep.in

• Fast ion conductor
• Electrolyte
• Conductivity
• Electrochemistry
• Sodium
• Ionic conductivity
• Phonon
• Chemistry
• Physical chemistry
• Physics

Journal of Chemistry Special Issue on Chemical Senses in Living Organisms: Chemical, Theoretical, and Biological Studies CALL FOR PAPERS

Source URL: downloads.hindawi.com

Journal of Chemistry Special Issue on Application of Theoretical Chemistry in Combustion Reactions, Atmospheric and Environmental Chemistry

Source URL: downloads.hindawi.com

Folding Dynamics of RNA Secondary Structures Ivo L. Hofacker Institute for Theoretical Chemistry, University Vienna http://www.tbi.univie.ac.at/˜ivo/

Source URL: www-embio.ch.cam.ac.uk

The 14 th Theoretical Chemistry Symposium (TCS2014) 18th - 21st December 2014, National Chemical Laboratory (NCL) & Indian Institute of Science Education and Research (IISER), Pune A microscopic view of ion solvation in

Source URL: cstep.in

Theoretical Chemistry on Supercomputing Facilities Mark Vincent Dept. of Chemistry, University of Manchester L

Source URL: www.csar.cfs.ac.uk