Results 81 to 90 of about 21,145 (116)

Cohomology Rings of Toric Bundles and the Ring of Conditions. [PDF]

Arnold Math J
Hofscheier J, Khovanskii A, Monin L.
europepmc   +1 more source

Machine learning for nonadiabatic molecular dynamics: best practices and recent progress. [PDF]

Chem Sci
Müller C, Sršeň Š, Bachmair B, Crespo-Otero R, Li J, Mausenberger S, Pinheiro M, Worth G, Lopez SA, Westermayr J.   +9 more
europepmc   +1 more source

Jean-Marie Souriau's Symplectic Foliation Model of Sadi Carnot's Thermodynamics. [PDF]

Entropy (Basel)
Barbaresco F.
europepmc   +1 more source

Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry. [PDF]

J Chem Inf Model
Zhang S, Chigaev M, Isayev O, Messerly RA, Lubbers N.   +4 more
europepmc   +1 more source

AI-Driven Defect Engineering for Advanced Thermoelectric Materials. [PDF]

Adv Mater
Fu CL, Cheng M, Hung NT, Rha E, Chen Z, Okabe R, Carrizales DC, Mandal M, Cheng Y, Li M.   +9 more
europepmc   +1 more source

Machine learning interatomic potential: Bridge the gap between small-scale models and realistic device-scale simulations. [PDF]

iScience
Wang G, Wang C, Zhang X, Li Z, Zhou J, Sun Z.   +5 more
europepmc   +1 more source

Physical interpretation of non-normalizable harmonic oscillator states and relaxation to pilot-wave equilibrium. [PDF]

Sci Rep
Sen I.
europepmc   +1 more source

Global universal scaling and ultrasmall parameterization in machine-learning interatomic potentials with superlinearity. [PDF]

Proc Natl Acad Sci U S A
Hu Y, Sheng Y, Huang J, Xu X, Yang Y, Zhang M, Wu Y, Ye C, Yang J, Zhang W.   +9 more
europepmc   +1 more source

Ab initio generalized Langevin equation. [PDF]

Proc Natl Acad Sci U S A
Xie P, Car R, E W.
europepmc   +1 more source