Zobrazeno 1 - 10
of 157
pro vyhledávání: '"Haynes, Peter D."'
Autor:
Self, Chris N., Khosla, Kiran E., Smith, Alistair W. R., Sauvage, Frederic, Haynes, Peter D., Knolle, Johannes, Mintert, Florian, Kim, M. S.
Publikováno v:
npj Quantum Inf 7, 116 (2021)
We introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The effectiveness of our approach is shown by obtaining multi-dimensional en
Externí odkaz:
http://arxiv.org/abs/2103.16161
We present an ab initio simulation of $90^{\circ}$ ferroelastic twins that were recently observed in methyl ammonium lead iodide. There are two inequivalent types of $90^{\circ}$ walls that we calculate to act as either electron or hole sinks which s
Externí odkaz:
http://arxiv.org/abs/1901.00704
Using first principles methods we calculated the entire {\gamma}-surface of the first order pyramidal planes in {\alpha}-titanium. Slip on these planes involving dislocations with c + a dislocations is one means by which {\alpha}-titanium polycrystal
Externí odkaz:
http://arxiv.org/abs/1608.00923
Autor:
Haynes, Peter D.
Approved for public release; distribution is unlimited
The study links a description and what is at times an unpleasant analysis of the evolution of U.S. naval strategy from 1989 to 2007, which marked the release of a maritime strategy called A
The study links a description and what is at times an unpleasant analysis of the evolution of U.S. naval strategy from 1989 to 2007, which marked the release of a maritime strategy called A
Externí odkaz:
http://hdl.handle.net/10945/34675
We present a solution of the full TDDFT eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementatio
Externí odkaz:
http://arxiv.org/abs/1507.08157
Publikováno v:
Phys. Rev. B. 88 (2013) 134103
The pressure dependence of the Fermi surface of arsenic is examined using the technique of Wannier interpolation, enabling a dense sampling of the Brillouin zone and the ability to capture fine features within it. Focusing primarily on the A7 to simp
Externí odkaz:
http://arxiv.org/abs/1408.3760
Autor:
Haynes, Peter D.
The knowledge of one's culture is critical for success in statecraft and strategy. Yet, perhaps because it is so pervasive, the influence of one's own culture on strategy, defense preparation, and the conduct of war tends to escape notice. The influe
Externí odkaz:
http://hdl.handle.net/10945/32645
Autor:
Corsini, Niccolò R. C., Greco, Andrea, Hine, Nicholas D. M., Molteni, Carla, Haynes, Peter D.
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure. Based on a
Externí odkaz:
http://arxiv.org/abs/1305.5862
Autor:
Ratcliff, Laura E., Haynes, Peter D.
A recently developed linear-scaling density-functional theory (LS-DFT) formalism is used to calculate optical absorption spectra of hybrids of C60 and the conjugated polymers poly(para-phenylene) (PPP) and poly(para-phenylene vinylene) (PPV). The use
Externí odkaz:
http://arxiv.org/abs/1303.7190