Zobrazeno 1 - 10
of 20 103
pro vyhledávání: '"Todd J. A."'
Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave orbital b
Externí odkaz:
http://arxiv.org/abs/2410.22278
Autor:
Couperus, Andrew A., Henry, Todd J., Osten, Rachel A., Jao, Wei-Chun, Vrijmoet, Eliot Halley, Kar, Aman, Horch, Elliott
Publikováno v:
The Astronomical Journal, 169, 41 (2025)
We present an investigation into the rotation and stellar activity of four fully convective M dwarf `twin' wide binaries. Components in each pair have (1) astrometry confirming they are common-proper-motion binaries, (2) Gaia $BP$, $RP$, and 2MASS $J
Externí odkaz:
http://arxiv.org/abs/2410.04726
Autor:
Ou, Jen-Hao, Hait, Diptarka, Rupprecht, Patrick, Beetar, John E., Martínez, Todd J., Leone, Stephen R.
Publikováno v:
J. Phys. Chem. A 2024, 128, 42, 9208-9217
A coherent vibrational wavepacket is launched and manipulated in the symmetric stretch (a$_1$) mode of CBr$_4$, by impulsive stimulated Raman scattering from non-resonant 400 nm laser pump pulses with various peak intensities on the order of tens of
Externí odkaz:
http://arxiv.org/abs/2408.00696
Autor:
Wang, Yuanheng, Hait, Diptarka, Johnson, K. Grace, Fajen, O. Jonathan, Zhang, Juncheng Harry, Guerrero, Rubén D., Martínez, Todd J.
Publikováno v:
J. Chem. Phys. 161, 174118 (2024)
The increasing availability of GPUs for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. The complexity of integral kernels for high angular momentum basis functions however often limits the
Externí odkaz:
http://arxiv.org/abs/2406.14920
Autor:
Luan, Tu, Cepeda, Victoria, Liu, Bo, Bowen, Zac, Ayyangar, Ujjwal, Almeida, Mathieu, Hill, Christopher M., Koren, Sergey, Treangen, Todd J., Porter, Adam, Pop, Mihai
Metagenomic studies have primarily relied on de novo assembly for reconstructing genes and genomes from microbial mixtures. While reference-guided approaches have been employed in the assembly of single organisms, they have not been used in a metagen
Externí odkaz:
http://arxiv.org/abs/2403.01578
Autor:
Kjønstad, Eirik F., Fajen, O. Jonathan, Paul, Alexander C., Angelico, Sara, Mayer, Dennis, Gühr, Markus, Wolf, Thomas J. A., Martínez, Todd J., Koch, Henrik
The fate of thymine upon excitation by ultraviolet radiation has been the subject of intense debate over the past three decades. Today, it is widely believed that its ultrafast excited state decay stems from a radiationless transition from the bright
Externí odkaz:
http://arxiv.org/abs/2403.01045
Publikováno v:
2024AJ....167..196K
We present the optical photometric variability of 32 planet-hosting M dwarfs within 25 parsecs over timescales of months to decades. The primary goal of this project, ATLAS -- A Trail to Life Around Stars, is to follow the trail to life by revealing
Externí odkaz:
http://arxiv.org/abs/2402.14121
Autor:
Hait, Diptarka, Lahana, Dean, Fajen, O. Jonathan, Paz, Amiel S. P., Unzueta, Pablo A., Rana, Bhaskar, Lu, Lixin, Wang, Yuanheng, Martinez, Todd J.
Publikováno v:
J. Chem. Phys. 160, 244101 (2024)
Simulations of photochemical reaction dynamics have been a challenge to the theoretical chemistry community for some time. In an effort to determine the predictive character of current approaches, we predict the results of an upcoming ultrafast diffr
Externí odkaz:
http://arxiv.org/abs/2402.10710
Repetitive DNA (repeats) poses significant challenges for accurate and efficient genome assembly and sequence alignment. This is particularly true for metagenomic data, where genome dynamics such as horizontal gene transfer, gene duplication, and gen
Externí odkaz:
http://arxiv.org/abs/2402.09381
Autor:
Eirik F. Kjønstad, O. Jonathan Fajen, Alexander C. Paul, Sara Angelico, Dennis Mayer, Markus Gühr, Thomas J. A. Wolf, Todd J. Martínez, Henrik Koch
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract The fate of thymine upon excitation by ultraviolet radiation has been the subject of intense debate. Today, it is widely believed that its ultrafast excited state gas phase decay stems from a radiationless transition from the bright π π* s
Externí odkaz:
https://doaj.org/article/d9fd1a56414d4fefb7397f242445ed34
