Zobrazeno 1 - 10
of 244
pro vyhledávání: '"Young, David B."'
Autor:
Hirsbrunner, Mark R., Mullinax, J. Wayne, Shen, Yizhi, Williams-Young, David B., Klymko, Katherine, Van Beeumen, Roel, Tubman, Norm M.
Publikováno v:
J. Chem. Phys. 161, 164103 (2024)
Recent research has shown that wavefunction evolution in real- and imaginary-time can generate quantum subspaces with significant utility for obtaining accurate ground state energies. Inspired by these methods, we propose combining quantum subspace t
Externí odkaz:
http://arxiv.org/abs/2404.06534
Electron-phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for first-principles calculations. Isolated examples of materials and molecular systems have emerged where el
Externí odkaz:
http://arxiv.org/abs/2403.08240
Autor:
Shen, Yizhi, Camps, Daan, Szasz, Aaron, Darbha, Siva, Klymko, Katherine, Williams--Young, David B., Tubman, Norm M., Van Beeumen, Roel
Ground state energy estimation in physical, chemical, and materials sciences is one of the most promising applications of quantum computing. In this work, we introduce a new hybrid approach that finds the eigenenergies by collecting real-time measure
Externí odkaz:
http://arxiv.org/abs/2306.01858
With growing demand for time-domain simulations of correlated many-body systems, the development of efficient and stable integration schemes for the time-dependent Schr\"odinger equation is of keen interest in modern electronic structure theory. In t
Externí odkaz:
http://arxiv.org/abs/2305.07592
Autor:
Williams-Young, David B., Asadchev, Andrey, Popovici, Doru Thom, Clark, David, Waldrop, Johnathan, Windus, Theresa, Valeev, Edward F., de Jong, Wibe A.
With the growing reliance of modern supercomputers on accelerator-based architectures such a GPUs, the development and optimization of electronic structure methods to exploit these massively parallel resources has become a recent priority. While sign
Externí odkaz:
http://arxiv.org/abs/2303.14280
Many-body simulations of quantum systems is an active field of research that involves many different methods targeting various computing platforms. Many methods commonly employed, particularly coupled cluster methods, have been adapted to leverage th
Externí odkaz:
http://arxiv.org/abs/2303.05688
We present a method to compute the many-body real-time Green's function using an adaptive variational quantum dynamics simulation approach. The real-time Green's function involves the time evolution of a quantum state with one additional electron wit
Externí odkaz:
http://arxiv.org/abs/2302.03093
Autor:
Bylaska, Eric J., Panyala, Ajay, Bauman, Nicholas P., Peng, Bo, Pathak, Himadri, Mejia-Rodriguez, Daniel, Govind, Niranjan, Williams-Young, David B., Aprà, Edoardo, Bagusetty, Abhishek, Mutlu, Erdal, Jackson, Koblar A., Baruah, Tunna, Yamamoto, Yoh, Pederson, Mark R., Withanage, Kushantha P. K., Pedroza-Montero, Jesús N., Bilbrey, Jenna A., Choudhury, Sutanay, Firoz, Jesun
Publikováno v:
Journal of Chemical Physics; 10/21/2024, Vol. 161 Issue 15, p1-31, 31p
