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High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
SnapPea is free software designed to help mathematicians, in particular low-dimensional topologists, study hyperbolic 3-manifolds. The primary developer is Jeffrey Weeks, who created the first version [1] as part of his doctoral thesis, [2] supervised by William Thurston. It is not to be confused with the unrelated android malware with the same ...
Symplectic manifolds arise from classical mechanics; in particular, they are a generalization of the phase space of a closed system. [1] In the same way the Hamilton equations allow one to derive the time evolution of a system from a set of differential equations, the symplectic form should allow one to obtain a vector field describing the flow of the system from the differential of a ...
However, the Hamiltonian still exists. In the case where the cometric is degenerate at every point q of the configuration space manifold Q, so that the rank of the cometric is less than the dimension of the manifold Q, one has a sub-Riemannian manifold. The Hamiltonian in this case is known as a sub-Riemannian Hamiltonian. Every such ...
An -action on a symplectic manifold (,) is called Hamiltonian if it is symplectic and if there exists a momentum map. A momentum map is often also required to be G {\displaystyle G} -equivariant , where G {\displaystyle G} acts on g ∗ {\displaystyle {\mathfrak {g}}^{*}} via the coadjoint action , and sometimes this requirement is included in ...
In mathematics and physics, a Hamiltonian vector field on a symplectic manifold is a vector field defined for any energy function or Hamiltonian. Named after the physicist and mathematician Sir William Rowan Hamilton , a Hamiltonian vector field is a geometric manifestation of Hamilton's equations in classical mechanics .
In contrast, isometries in Riemannian geometry must preserve the Riemann curvature tensor, which is thus a local invariant of the Riemannian manifold. Moreover, every function H on a symplectic manifold defines a Hamiltonian vector field X H, which exponentiates to a one-parameter group of Hamiltonian diffeomorphisms. It follows that the group ...
Thus, the sum of the Betti numbers of that manifold yields the lower bound predicted by one version of the Arnold conjecture for the number of fixed points for a nondegenerate symplectomorphism. The SFH of a Hamiltonian symplectomorphism also has a pair of pants product that is a deformed cup product equivalent to quantum cohomology. A version ...