Zobrazeno 1 - 10
of 93
pro vyhledávání: '"Takeshita, Tyler Y."'
Autor:
Motta, Mario, Gujarati, Tanvi P., Rice, Julia E., Kumar, Ashutosh, Masteran, Conner, Latone, Joseph A., Lee, Eunseok, Valeev, Edward F., Takeshita, Tyler Y.
Publikováno v:
Phys. Chem. Chem. Phys. 22, 24270-24281 (2020)
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at polynomial cost,
Externí odkaz:
http://arxiv.org/abs/2006.02488
We develop a range-separated stochastic resolution of identity approach for the $4$-index electron repulsion integrals, where the larger terms (above a predefined threshold) are treated using a deterministic resolution of identity and the remaining t
Externí odkaz:
http://arxiv.org/abs/2005.12338
Autor:
Arute, Frank, Arya, Kunal, Babbush, Ryan, Bacon, Dave, Bardin, Joseph C., Barends, Rami, Boixo, Sergio, Broughton, Michael, Buckley, Bob B., Buell, David A., Burkett, Brian, Bushnell, Nicholas, Chen, Yu, Chen, Zijun, Chiaro, Benjamin, Collins, Roberto, Courtney, William, Demura, Sean, Dunsworth, Andrew, Eppens, Daniel, Farhi, Edward, Fowler, Austin, Foxen, Brooks, Gidney, Craig, Giustina, Marissa, Graff, Rob, Habegger, Steve, Harrigan, Matthew P., Ho, Alan, Hong, Sabrina, Huang, Trent, Huggins, William J., Ioffe, Lev, Isakov, Sergei V., Jeffrey, Evan, Jiang, Zhang, Jones, Cody, Kafri, Dvir, Kechedzhi, Kostyantyn, Kelly, Julian, Kim, Seon, Klimov, Paul V., Korotkov, Alexander, Kostritsa, Fedor, Landhuis, David, Laptev, Pavel, Lindmark, Mike, Lucero, Erik, Martin, Orion, Martinis, John M., McClean, Jarrod R., McEwen, Matt, Megrant, Anthony, Mi, Xiao, Mohseni, Masoud, Mruczkiewicz, Wojciech, Mutus, Josh, Naaman, Ofer, Neeley, Matthew, Neill, Charles, Neven, Hartmut, Niu, Murphy Yuezhen, O'Brien, Thomas E., Ostby, Eric, Petukhov, Andre, Putterman, Harald, Quintana, Chris, Roushan, Pedram, Rubin, Nicholas C., Sank, Daniel, Satzinger, Kevin J., Smelyanskiy, Vadim, Strain, Doug, Sung, Kevin J., Szalay, Marco, Takeshita, Tyler Y., Vainsencher, Amit, White, Theodore, Wiebe, Nathan, Yao, Z. Jamie, Yeh, Ping, Zalcman, Adam
Publikováno v:
Science 369 (6507), 1084-1089, 2020
As the search continues for useful applications of noisy intermediate scale quantum devices, variational simulations of fermionic systems remain one of the most promising directions. Here, we perform a series of quantum simulations of chemistry the l
Externí odkaz:
http://arxiv.org/abs/2004.04174
Autor:
Rice, Julia E., Gujarati, Tanvi P., Takeshita, Tyler Y., Latone, Joe, Motta, Mario, Hintennach, Andreas, Garcia, Jeannette M.
Publikováno v:
J. Chem. Phys. 154, 134115 (2021)
Quantum chemistry simulations of some industrially relevant molecules are reported, employing variational quantum algorithms for near-term quantum devices. The energies and dipole moments are calculated along the dissociation curves for lithium hydri
Externí odkaz:
http://arxiv.org/abs/2001.01120
We develop a stochastic resolution of identity approach to the real-time second-order Green's function (real-time sRI-GF2) theory, extending our recent work for imaginary-time Matsubara Green's function {\em J. Chem. Phys.} {\bf 151}, 044114 (2019)).
Externí odkaz:
http://arxiv.org/abs/1909.06525
A stochastic orbital approach to the resolution of identity (RI) approximation for 4-index 2-electron electron repulsion integrals (ERIs) is presented. The stochastic RI-ERIs are then applied to M\o ller-Plesset perturbation theory (MP2) utilizing a
Externí odkaz:
http://arxiv.org/abs/1704.02044
Publikováno v:
J. Chem. Phys. 145, 044112 (2016)
Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows exact diagonal
Externí odkaz:
http://arxiv.org/abs/1603.02686
Autor:
Rice, Julia E., Gujarati, Tanvi P., Motta, Mario, Takeshita, Tyler Y., Lee, Eunseok, Latone, Joseph A., Garcia, Jeannette M.
Publikováno v:
Journal of Chemical Physics; 4/7/2021, Vol. 154 Issue 13, p1-10, 10p
Publikováno v:
Journal of Chemical Physics; 8/21/2020, Vol. 153 Issue 7, p074113-1-074113-7, 7p
Autor:
Takeshita, Tyler Y., Dou, Wenjie, Smith, Daniel G. A., de Jong, Wibe A., Baer, Roi, Neuhauser, Daniel, Rabani, Eran
Publikováno v:
Journal of Chemical Physics; 7/28/2019, Vol. 151 Issue 4, pN.PAG-N.PAG, 7p, 1 Chart, 3 Graphs