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Newton-X

Newton-X is a general program for molecular dynamics simulations beyond the Born-Oppenheimer approximation. It has been primarily used for… 
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Related topics

Related topics

18 relations
Ab initio quantum chemistry methodsCOLUMBUSComputational chemistryConfiguration interaction

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2019
2019
Lax pairs for string Newton Cartan geometry
2018
2018
Hamiltonian for a string in a Newton-Cartan background
  • J. Klusoň
  • Physical Review D
  • 2018
  • Corpus ID: 119232123
This paper is devoted to the construction of the Hamiltonian for non-relativistic string in the Newton-Cartan background. We… 
2016
2016
Localized Computation of Newton Updates in Fully-implicit Two-phase Flow Simulation
2015
2015
A Schrödinger approach to Newton-Cartan and Hořava-Lifshitz gravities
A bstractWe define a ‘non-relativistic conformal method’, based on a Schrödinger algebra with critical exponent z = 2, as the non… 
Highly Cited
2014
Highly Cited
2014
Localization of the Galilean symmetry and dynamical realization of Newton–Cartan geometry
Newtonian gravity was formulated as a geometrodynamic theory as far back as in 1930s by Elie Cartan, in what is named aptly as… 
2009
2009
Time Irreversibility Problem and Functional Formulation of Classical Mechanics
The time irreversibility problem is the dichotomy of the reversible microscopic dynamics and the irreversible macroscopic physics… 
2008
2008
Zeta Functions of Projective Toric Hypersurfaces over Finite Fields
I give a formula for the zeta function of a projective toric hypersurface over a finite field and estimate its Newton polygon. As… 
2006
2006
A Schur–Newton–Krylov solver for steady-state aeroelastic analysis and design sensitivity analysis
Highly Cited
2006
Highly Cited
2006
13C Chemical Shift Constrained Crystal Structure Refinement of Cellulose Iα and Its Verification by NMR Anisotropy Experiments
The solid-state NMR assignments of the 13C resonances of bacterial cellulose Iα were reinvestigated by INADEQUATE experiments on… 
1987
1987
Parallel Processing of Robot Motion Simulation
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