Zobrazeno 1 - 10
of 960
pro vyhledávání: '"P. Dub"'
Autor:
Yavorskiy, D., Ivonyak, Y., But, D., Karpierz, K., Krajewska, A., Haras, M., Sai, P., Dub, M., Kazakov, A., Cywiński, G., Knap, W., Łusakowski, J.
HgCdTe alloys are unique because by increasing the Cd content x, one modifies the band structure from inverted to normal, which fundamentally modifies the dispersion of bulk and surface or edge (in the case of quantum wells) energy states. Using allo
Externí odkaz:
http://arxiv.org/abs/2406.16122
Autor:
Sokolov, Igor O., Both, Gert-Jan, Bochevarov, Art D., Dub, Pavel A., Levine, Daniel S., Brown, Christopher T., Acheche, Shaheen, Barkoutsos, Panagiotis Kl., Elfving, Vincent E.
Kohn-Sham Density Functional Theory (KS-DFT) provides the exact ground state energy and electron density of a molecule, contingent on the as-yet-unknown universal exchange-correlation (XC) functional. Recent research has demonstrated that neural netw
Externí odkaz:
http://arxiv.org/abs/2404.14258
Autor:
Sai, P., Korotyeyev, V. V., Dub, M., Słowikowski, M., Filipiak, M., But, D. B., Ivonyak, Yu., Sakowicz, M., Lyaschuk, Yu. M., Kukhtaruk, S. M., Cywiński, G., Knap, W.
Publikováno v:
Phys. Rev. X 13, 041003 (2023)
We present an extensive study of resonant two-dimensional (2D) plasmon excitations in grating-gated quantum well heterostructures, which enable an electrical control of periodic charge carrier density profile. Our study combines theoretical and exper
Externí odkaz:
http://arxiv.org/abs/2305.00211
Autor:
Schleich, Philipp, Boen, Joseph, Cincio, Lukasz, Anand, Abhinav, Kottmann, Jakob S., Tretiak, Sergei, Dub, Pavel A., Aspuru-Guzik, Alán
Publikováno v:
J. Chem. Theory Comput. 2023, 19, 15, 4952-4964
Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near-term. In this work, we
Externí odkaz:
http://arxiv.org/abs/2303.01221
Autor:
Kumar, Ashutosh, Asthana, Ayush, Abraham, Vibin, Crawford, T. Daniel, Mayhall, Nicholas J., Zhang, Yu, Cincio, Lukasz, Tretiak, Sergei, Dub, Pavel A.
Accurate modeling of the response of molecular systems to an external electromagnetic field is challenging on classical computers, especially in the regime of strong electronic correlation. In this paper, we develop a quantum linear response (qLR) th
Externí odkaz:
http://arxiv.org/abs/2301.06260
Autor:
Asthana, Ayush, Kumar, Ashutosh, Abraham, Vibin, Grimsley, Harper, Zhang, Yu, Cincio, Lukasz, Tretiak, Sergei, Dub, Pavel A., Economou, Sophia E., Barnes, Edwin, Mayhall, Nicholas J.
Near-term quantum computers are expected to facilitate material and chemical research through accurate molecular simulations. Several developments have already shown that accurate ground-state energies for small molecules can be evaluated on present-
Externí odkaz:
http://arxiv.org/abs/2206.10502
Autor:
Adelani, David Ifeoluwa, Alabi, Jesujoba Oluwadara, Fan, Angela, Kreutzer, Julia, Shen, Xiaoyu, Reid, Machel, Ruiter, Dana, Klakow, Dietrich, Nabende, Peter, Chang, Ernie, Gwadabe, Tajuddeen, Sackey, Freshia, Dossou, Bonaventure F. P., Emezue, Chris Chinenye, Leong, Colin, Beukman, Michael, Muhammad, Shamsuddeen Hassan, Jarso, Guyo Dub, Yousuf, Oreen, Rubungo, Andre Niyongabo, Hacheme, Gilles, Wairagala, Eric Peter, Nasir, Muhammad Umair, Ajibade, Benjamin Ayoade, Ajayi, Tunde Oluwaseyi, Gitau, Yvonne Wambui, Abbott, Jade, Ahmed, Mohamed, Ochieng, Millicent, Aremu, Anuoluwapo, Ogayo, Perez, Mukiibi, Jonathan, Kabore, Fatoumata Ouoba, Kalipe, Godson Koffi, Mbaye, Derguene, Tapo, Allahsera Auguste, Koagne, Victoire Memdjokam, Munkoh-Buabeng, Edwin, Wagner, Valencia, Abdulmumin, Idris, Awokoya, Ayodele, Buzaaba, Happy, Sibanda, Blessing, Bukula, Andiswa, Manthalu, Sam
Recent advances in the pre-training of language models leverage large-scale datasets to create multilingual models. However, low-resource languages are mostly left out in these datasets. This is primarily because many widely spoken languages are not
Externí odkaz:
http://arxiv.org/abs/2205.02022
Autor:
Tkachenko, Nikolay V., Cincio, Lukasz, Boldyrev, Alexander I., Tretiak, Sergei, Dub, Pavel A., Zhang, Yu
Excited state properties play a pivotal role in various chemical and physical phenomena, such as charge separation and light emission. However, the primary focus of most existing quantum algorithms has been the ground state, as seen in quantum phase
Externí odkaz:
http://arxiv.org/abs/2204.10741
Autor:
Kumar, Ashutosh, Asthana, Ayush, Masteran, Conner, Valeev, Edward F., Zhang, Yu, Cincio, Lukasz, Tretiak, Sergei, Dub, Pavel A.
NISQ era devices suffer from a number of challenges like limited qubit connectivity, short coherence times and sizable gate error rates. Thus, quantum algorithms are desired that require shallow circuit depths and low qubit counts to take advantage o
Externí odkaz:
http://arxiv.org/abs/2201.09852
Autor:
Negre, Christian F. A., Lopez-Bezanilla, Alejandro, Zhang, Yu, Akrobotu, Prosper D., Mniszewski, Susan M., Tretiak, Sergei, Dub, Pavel A.
Density matrix electronic structure theory is used in many quantum chemistry methods to "alleviate" the computational cost that arises from directly using wave functions. Although density matrix based methods are computationally more efficient than w
Externí odkaz:
http://arxiv.org/abs/2201.04720