Results 211 to 220 of about 91,082 (255)

General Quantum Alchemical Free Energy Simulations via Hamiltonian Interpolation.

Journal of Chemical Theory and Computation
We present an implementation of alchemical free energy simulations at the quantum mechanical level by directly interpolating the electronic Hamiltonian. The method is compatible with any level of electronic structure theory and requires only one quantum ...
Chenghan Li, Xing Zhang, G. Chan
semanticscholar   +1 more source

On Model Two-Dimensional Pressureless Gas Flows: Variational Description and Numerical Algorithm Based on Adhesion Dynamics

Computational Mathematics and Mathematical Physics, 2023
N. Klyushnev, Y. Rykov
semanticscholar   +1 more source

TheEffect Of Gas Pricing on The Export of Gas Producing Countries: Integration of Dynamic Computable General Equilibrium CGE) Approach and Game Theory

2023
Javadinia, Mina, Jalaee Esfand Abadi, seyyed Abdol Majid, Nejati, Mehdi   +2 more
openaire   +1 more source

Asymptotic theory of the Boltzmann system, for a steady flow of a slightly rarefied gas with a finite Mach number: General theory

, 2000
Y. Sone, C. Bardos, F. Golse, H. Sugimoto   +3 more
semanticscholar   +1 more source

Generalized Langevin theory for many‐body problems in chemical dynamics: General formulation and the equivalent harmonic chain representation

, 1979
S. Adelman
semanticscholar   +1 more source

F-1311 Linearized Analyses of Molecular Gas Film Lubrication Equation : Generalized theory for dynamic characteristics of Infinite width slider on running disk

The proceedings of the JSME annual meeting, 2001
Shigehisa FUKUI, Hiroshige MATSUOKA, Hidetoshi MATSUI   +2 more
openaire   +1 more source

Theory of the Hydraulic Analogy for Steady and Unsteady Gas Dynamics

, 1969
W. Loh
semanticscholar   +1 more source

General theory of discontinuities in non equilibrium gas dynamics

, 1970
Rama Shankar
openalex  

A unified theory for gas dynamics and aeroacoustics in viscous compressible flows. Part I. Unbounded fluid

Acta Mechanica Sinica/Lixue Xuebao, 2022
Linlin Kang, Luoqin Liu, Jiezhi Wu
exaly  

Finite-dimensional oscillation models in general relativity theory and gas dynamics

, 1979
O. I. Bogoi︠a︡vlenskiĭ, S. P. Novikov   +1 more
openalex