Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Aaron Sisto"'
Publikováno v:
EACL
Conversational systems enable numerous valuable applications, and question-answering is an important component underlying many of these. However, conversational question-answering remains challenging due to the lack of realistic, domain-specific trai
Publikováno v:
Proceedings of the Seventh Workshop on Noisy User-generated Text (W-NUT 2021).
Autor:
Simon McIntosh-Smith, Michael B. O'Connor, Aaron Sisto, David R. Glowacki, Clem Stross, Graham T. Johnson, Frederick R. Manby, Marc W. van der Kamp, Todd J. Martínez, Edward G. Hohenstein
Publikováno v:
Sisto, A, Van der Kamp, M, Stross, C, O'Connor, M, McIntosh-Smith, S, Johnson, G T, Hohenstein, E G, Manby, F, Glowacki, D & Martinez, T 2017, ' Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model ', Physical Chemistry Chemical Physics, vol. 19, no. 23, pp. 14924-14936 . https://doi.org/10.1039/c7cp00492c
We recently outlined an efficient multi-tiered parallel ab initio excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground and excited state energies and gradients of large supramolecular complexes in ato
Autor:
Varun Mani, Ben Grossman, Aaron Sisto, Mark R. Mine, Victor Luo, Anand Agarawala, Jameson Detweiler
Publikováno v:
ACM SIGGRAPH 2019 Panels.
XR has never been more immersive, entertaining and dynamic than it is now. So why is the virtual world still such a lonely place? Shared virtual experiences are slowing becoming a reality, with the potential to transform the way XR is used in educati
Autor:
Ingeborg Stass, Aaron Sisto, Jeffrey B. Neaton, Xiaofeng Feng, Alexey T. Zayak, Sabine Maier, Miquel Salmeron
Publikováno v:
The Journal of Physical Chemistry C. 119:10520-10525
We study the mechanism leading to the breaking of the N–H bonds in ammonia on Ru(0001) by means of scanning tunneling microscopy (STM). Our results support a model where injection of electrons or holes into antibonding (LUMO) and bonding (HOMO) orb
Publikováno v:
Accounts of Chemical Research. 47:2857-2866
Conspectus Although advances in computer hardware and algorithms tuned for novel computer architectures are leading to significant increases in the size and time scale for molecular simulations, it remains true that new methods and algorithms will be
Publikováno v:
The International Journal of Advanced Manufacturing Technology. 74:65-78
Publikováno v:
Journal of physical chemistry A, 2017, Vol.121(1), pp.265-276 [Peer Reviewed Journal]
Journal of Physical Chemistry A
Journal of Physical Chemistry A
The ultrafast decay dynamics of 4-(N,N-dimethylamino)benzonitrile (DMABN) following photoexcitation was studied with the ab initio multiple spawning (AIMS) method, combined with GPU-accelerated linear-response time-dependent density functional theory
Publikováno v:
Electronic Structure Calculations on Graphics Processing Units
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d5f221a42219b2f4da10f6816a74aca6
https://doi.org/10.1002/9781118670712.ch4
https://doi.org/10.1002/9781118670712.ch4
Publikováno v:
Journal of Heat Transfer. 136
Recent advances in nanofabrication technology have facilitated the development of arrays of nanostructures in the classical or quantum confinement regime, e.g., single-walled carbon nanotube (SWCNT) arrays with long-range order across macroscopic dim