Improving the convergence of closed and open path integral molecular dynamics via higher order Trotter factorization schemes.

Improving the convergence of closed and open path integral molecular dynamics via higher order Trotter factorization schemes.

Item
http://www.wikidata.org/entity/Q51539882
Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions.From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics.Kinetic isotope effects and how to describe them.Path integral-GC-AdResS simulation of a large hydrophobic solute in water: a tool to investigate the interplay between local microscopic structures and quantum delocalization of atoms in space.Quantum fluctuations of a fullerene cage modulate its internal magnetic environment.Variational path integral molecular dynamics and hybrid Monte Carlo algorithms using a fourth order propagator with applications to molecular systems.Accelerated path integral methods for atomistic simulations at ultra-low temperatures.Path-integral and Ornstein-Zernike study of quantum fluid structures on the crystallization line.Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods.Path integral molecular dynamics within the grand canonical-like adaptive resolution technique: Simulation of liquid water.Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials.Direct path integral estimators for isotope fractionation ratios.Modeling quantum nuclei with perturbed path integral molecular dynamics.High order path integrals made easy
P2860

Improving the convergence of closed and open path integral molecular dynamics via higher order Trotter factorization schemes.

Item
http://www.wikidata.org/entity/Q51539882
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh-hant
name
Improving the convergence of c ...... Trotter factorization schemes.
@en
Improving the convergence of c ...... Trotter factorization schemes.
@nl
type
label
Improving the convergence of c ...... Trotter factorization schemes.
@en
Improving the convergence of c ...... Trotter factorization schemes.
@nl
prefLabel
Improving the convergence of c ...... Trotter factorization schemes.
@en
Improving the convergence of c ...... Trotter factorization schemes.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P5875
P698
P356
P1433
P1476
Improving the convergence of c ...... Trotter factorization schemes.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P5875
P698