Zobrazeno 1 - 10
of 16 328
pro vyhledávání: '"Yu, QI"'
Autor:
Yu, Qi, Ma, Ruitao, Qu, Chen, Conte, Riccardo, Nandi, Apurba, Pandey, Priyanka, Houston, Paul L., Zhang, Dong H., Bowman, Joel M.
Most widely used machine learned (ML) potentials for condensed phase applications rely on many-body permutationally invariant polynomial (PIP) or atom-centered neural networks (NN). However, these approaches often lack chemical interpretability in at
Externí odkaz:
http://arxiv.org/abs/2412.00522
Recent experiments have demonstrated that vibrational strong coupling (VSC) between molecular vibrations and the optical cavity field can modify vibrational energy transfer (VET) processes in molecular systems. However, the underlying mechanisms and
Externí odkaz:
http://arxiv.org/abs/2411.14659
Autor:
da Silva, Rafael Ferreira, Bard, Deborah, Chard, Kyle, de Witt, Shaun, Foster, Ian T., Gibbs, Tom, Goble, Carole, Godoy, William, Gustafsson, Johan, Haus, Utz-Uwe, Hudson, Stephen, Jha, Shantenu, Los, Laila, Paine, Drew, Suter, Frédéric, Ward, Logan, Wilkinson, Sean, Amaris, Marcos, Babuji, Yadu, Bader, Jonathan, Balin, Riccardo, Balouek, Daniel, Beecroft, Sarah, Belhajjame, Khalid, Bhattarai, Rajat, Brewer, Wes, Brunk, Paul, Caino-Lores, Silvina, Casanova, Henri, Cassol, Daniela, Coleman, Jared, Coleman, Taina, Colonnelli, Iacopo, Da Silva, Anderson Andrei, de Oliveira, Daniel, Elahi, Pascal, Elfaramawy, Nour, Elwasif, Wael, Etz, Brian, Fahringer, Thomas, Ferreira, Wesley, Filgueira, Rosa, Tande, Jacob Fosso, Gadelha, Luiz, Gallo, Andy, Garijo, Daniel, Georgiou, Yiannis, Gritsch, Philipp, Grubel, Patricia, Gueroudji, Amal, Guilloteau, Quentin, Hamalainen, Carlo, Enriquez, Rolando Hong, Huet, Lauren, Kesling, Kevin Hunter, Iborra, Paula, Jahangiri, Shiva, Janssen, Jan, Jordan, Joe, Kanwal, Sehrish, Kunstmann, Liliane, Lehmann, Fabian, Leser, Ulf, Li, Chen, Liu, Peini, Luettgau, Jakob, Lupat, Richard, Fernandez, Jose M., Maheshwari, Ketan, Malik, Tanu, Marquez, Jack, Matsuda, Motohiko, Medic, Doriana, Mohammadi, Somayeh, Mulone, Alberto, Navarro, John-Luke, Ng, Kin Wai, Noelp, Klaus, Kinoshita, Bruno P., Prout, Ryan, Crusoe, Michael R., Ristov, Sashko, Robila, Stefan, Rosendo, Daniel, Rowell, Billy, Rybicki, Jedrzej, Sanchez, Hector, Saurabh, Nishant, Saurav, Sumit Kumar, Scogland, Tom, Senanayake, Dinindu, Shin, Woong, Sirvent, Raul, Skluzacek, Tyler, Sly-Delgado, Barry, Soiland-Reyes, Stian, Souza, Abel, Souza, Renan, Talia, Domenico, Tallent, Nathan, Thamsen, Lauritz, Titov, Mikhail, Tovar, Benjamin, Vahi, Karan, Vardar-Irrgang, Eric, Vartina, Edite, Wang, Yuandou, Wouters, Merridee, Yu, Qi, Bkhetan, Ziad Al, Zulfiqar, Mahnoor
The Workflows Community Summit gathered 111 participants from 18 countries to discuss emerging trends and challenges in scientific workflows, focusing on six key areas: time-sensitive workflows, AI-HPC convergence, multi-facility workflows, heterogen
Externí odkaz:
http://arxiv.org/abs/2410.14943
Continuous glucose monitoring (CGM) has been increasingly used in US hospitals for the care of patients with diabetes. Time in range (TIR), which measures the percent of time over a specified time window with glucose values within a target range, has
Externí odkaz:
http://arxiv.org/abs/2410.03091
A violation of the usual conservation law is proposed in Rastall theory. We consider two generalizations of Rastall theory: Brans-Dicke-Rastall theory and the newly established Rastall-scalar-tensor theory, the latter being a further generalization o
Externí odkaz:
http://arxiv.org/abs/2409.18503
The Isaacson picture provides a general method for describing the effects of gravitational waves, established on two sets of basic equations. The first set of equations describes the propagation of gravitational waves within a given background, while
Externí odkaz:
http://arxiv.org/abs/2409.11838
We construct the first-order perturbative Taub-NUT black hole solutions in Einstein gravity extended with a cubic curvature invariant. The corrected thermodynamic quantities are then obtained by the standard method and the first law and Smarr relatio
Externí odkaz:
http://arxiv.org/abs/2409.07692
This short paper reports a study of the electronic dissociation energies, De, of water clusters from direct ab initio (mostly CCSD(T)) calculations and the q-AQUA and MB-pol potentials. These clusters range in size from 6-25 monomers. These are all i
Externí odkaz:
http://arxiv.org/abs/2408.05234
Autor:
Nandi, Apurba, Pandey, Priyanka, Houston, Paul L., Qu, Chen, Yu, Qi, Conte, Riccardo, Tkatchenko, Alexandre, Bowman, Joel M.
Progress in machine learning has facilitated the development of potentials that offer both the accuracy of first-principles techniques and vast increases in the speed of evaluation. Recently,"$\Delta$-machine learning" has been used to elevate the qu
Externí odkaz:
http://arxiv.org/abs/2407.20050
Prior neural architecture search (NAS) for adversarial robustness works have discovered that a lightweight and adversarially robust neural network architecture could exist in a non-robust large teacher network, generally disclosed by heuristic rules
Externí odkaz:
http://arxiv.org/abs/2406.06792