Related papers: Computational Physics on Graphics Processing Units
A formulation of quantum mechanics based on replacing the general unitary group by finite groups is considered. To solve problems arising in the context of this formulation, we use computer algebra and computational group theory methods.
Quantum Physics and Logic is an annual conference that brings together researchers working on mathematical foundations of quantum physics, quantum computing, and related areas, with a focus on structural perspectives and the use of logical…
Image processing is popular in our daily life because of the need to extract essential information from our 3D world, including a variety of applications in widely separated fields like bio-medicine, economics, entertainment, and industry.…
Algorithms are described for efficiently simulating quantum mechanical systems on quantum computers. A class of algorithms for simulating the Schrodinger equation for interacting many-body systems are presented in some detail. These…
The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…
Molecular biology and biochemistry interpret microscopic processes in the living world in terms of molecular structures and their interactions, which are quantum mechanical by their very nature. Whereas the theoretical foundations of these…
We equip dynamic geometry software (DGS) with a user-friendly method that enables massively parallel calculations on the graphics processing unit (GPU). This interplay of DGS and GPU opens up various applications in education and…
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming…
Quantum information processing is the use of inherently quantum mechanical phenomena to perform information processing tasks that cannot be achieved using conventional classical information technologies. One famous example is quantum…
This work deals with the optimization of computer programs targeting Graphics Processing Units (GPUs). The goal is to lift, from programmers to optimizing compilers, the heavy burden of determining program details that are dependent on the…
The increasing growth of data volume, and the consequent explosion in demand for computational power, are affecting scientific computing, as shown by the rise of extreme data scientific workflows. As the need for computing power increases,…
Since its inception at the beginning of the twentieth century, quantum mechanics has challenged our conceptions of how the universe ought to work; however, the equations of quantum mechanics can be too computationally difficult to solve…
Chemistry and materials science are widely regarded as potential killer application fields for quantum hardware. While the dream of unlocking unprecedented simulation capabilities remains compelling, quantum algorithm development must adapt…
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…
Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials…
Physical computing is a technology utilizing the nature of electronic devices and circuit topology to cope with computing tasks. In this paper, we propose an active circuit network to implement multi-scale Gaussian filter, which is also…
Computational chemistry has become an indispensable tool for generating data and insights, pervading all branches of experimental chemistry. Its most central concept is the potential energy hypersurface, key to all chemistry and materials…
Unitarity serves as a fundamental concept for characterizing linear and conservative wave phenomena in both classical and quantum systems. Developing platforms that perform unitary operations on light waves in a uni-versal and programmable…
Partition of unity methods (PUMs) on graphs are simple and highly adaptive auxiliary tools for graph signal processing. Based on a greedy-type metric clustering and augmentation scheme, we show how a partition of unity can be generated in…
Computational modeling helps neuroscientists to integrate and explain experimental data obtained through neurophysiological and anatomical studies, thus providing a mechanism by which we can better understand and predict the principles of…