Results 91 to 100 of about 19,335,962 (161)

Adsorption Sites on Pd Nanoparticles Unraveled by Machine-Learning Potential with Adaptive Sampling. [PDF]

Molecules, 2022
Tereshchenko A, Pashkov D, Guda A, Guda S, Rusalev Y, Soldatov A.   +5 more
europepmc   +1 more source

Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential. [PDF]

Nat Commun, 2022
Axelrod S, Shakhnovich E, Gómez-Bombarelli R.   +2 more
europepmc   +1 more source

Construction of PANoptosis-Inhibiting Carbonized Polymer Dots via Machine Learning Potential for Mitigating Chemodrug-Induced Nephrotoxicity. [PDF]

Adv Sci (Weinh)
Liu X, Zhang J, Yan X, Li N, Dong YC, Wang Z, Li D, Du Y, Wang H.   +8 more
europepmc   +1 more source

Individualized learning potential in stressful times: How to leverage intensive longitudinal data to inform online learning. [PDF]

Comput Human Behav, 2021
Chaku N, Kelly DP, Beltz AM.
europepmc   +1 more source

The interlocking process in molecular machines explained by a combined approach: the nudged elastic band method and machine learning potential. [PDF]

Chem Sci
Peña-Zarate L, Vela A, Tiburcio J.
europepmc   +1 more source

Theoretical studies on triplet-state driven dissociation of formaldehyde by quasi-classical molecular dynamics simulation on machine-learning potential energy surface. [PDF]

J Chem Phys, 2021
Lin S, Peng D, Yang W, Gu FL, Lan Z.
europepmc   +1 more source

Correction to "Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic". [PDF]

J Chem Theory Comput
Yang Y, Han J, Viñes F, Illas F.
europepmc   +1 more source

The Taxonomy of Opportunities to Learn (TxOTL): a tool for understanding the learning potential and substance of interactions in faculty (online) learning community meetings. [PDF]

Int J STEM Educ, 2021
Lau AC, Martin M, Corrales A, Turpen C, Goldberg F, Price E.   +5 more
europepmc   +1 more source

Decoding local framework dynamics in the ultra-small pore MOF MIL-120(Al) CO₂ adsorbent using machine-learning potential. [PDF]

Nat Commun
Fan D, Oliveira FL, Bonakala S, Wahiduzzaman M, Maurin G.   +4 more
europepmc   +1 more source

Occupational self-efficacy, job satisfaction and learning potential of the workplace in a sample of diabetes specialist nurses: A structural equation modeling analysis. [PDF]

Int J Nurs Stud Adv
Dautovic A, Fredriksson-Larsson U, Yang Hansen K, Brink E.   +3 more
europepmc   +1 more source