Exploiting Locality in Quantum Computation for Quantum Chemistry.

نویسندگان

  • Jarrod R McClean
  • Ryan Babbush
  • Peter J Love
  • Alán Aspuru-Guzik
چکیده

Accurate prediction of chemical and material properties from first-principles quantum chemistry is a challenging task on traditional computers. Recent developments in quantum computation offer a route toward highly accurate solutions with polynomial cost; however, this solution still carries a large overhead. In this Perspective, we aim to bring together known results about the locality of physical interactions from quantum chemistry with ideas from quantum computation. We show that the utilization of spatial locality combined with the Bravyi-Kitaev transformation offers an improvement in the scaling of known quantum algorithms for quantum chemistry and provides numerical examples to help illustrate this point. We combine these developments to improve the outlook for the future of quantum chemistry on quantum computers.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

The potentiality of the functionalized nitrogen and thiol-doped graphene quantum dots (GQDs-N-S) to stabilize the antibodies in the designing of human chorionic gonadotropin immunosensor

In this study, for the first time, a simple immunosensor for ultrasensitive recognition of Human Chorionic Gonadotropin (hCG) in serum samples was fabricated by exploiting a simple approach. In this method, a low-cost and sensitive immunosensor was fabricated based on QDs-N-S/Au nanoparticles (NPs) modified Screen-Printed Carbon Electrode (SPCE). It seems that, QDs-N-S/Au NPs/ antibody as a bio...

متن کامل

Computational Computation of the Efferene Structure on the Para phenylene diamine

In this study, the effect of fullerene electron mobility on the composition of paraphenylenediamine and stability was studied. Using quantum chemistry calculations, the first combination of paraffenylenediamine in a single-full-time region connected with fullerene through carbon atoms was reported. Experimental research was simulated and optimized using GIS software. Then the NBO calculations w...

متن کامل

Exploring and Exploiting Quantum-Dot Cellular Automata

The Full Adders (FAs) constitute the essential elements of digital systems, in a sense that they affect the circuit parameters of such systems. With respect to the MOSFET restrictions, its replacement by new devices and technologies is inevitable. QCA is one of the accomplishments in nanotechnology nominated as the candidate for MOSFET replacement. In this article 4 new layouts are presente...

متن کامل

Theoretical computation of the quantum transport of zigzag mono-layer Graphenes with various z-direction widths

The quantum transport computations have been carried on four different width of zigzag graphene using a nonequilibrium Green’s function method combined with density functional theory. The computed properties are included transmittance spectrum, electrical current and quantum conductance at the 0.3V as bias voltage.  The considered systems were composed from one-layer graphene sheets differing w...

متن کامل

Theoretical computation of the quantum transport of zigzag mono-layer Graphenes with various z-direction widths

The quantum transport computations have been carried on four different width of zigzag graphene using a nonequilibrium Green’s function method combined with density functional theory. The computed properties are included transmittance spectrum, electrical current and quantum conductance at the 0.3V as bias voltage.  The considered systems were composed from one-layer graphene sheets differing w...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • The journal of physical chemistry letters

دوره 5 24  شماره 

صفحات  -

تاریخ انتشار 2014