Results 1 to 10 of about 7,189,623 (250)

Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

Chemical Reviews, 2020
Dima Mozyrsky, Ben Nebgen, Sergei Tretiak   +2 more
exaly  

Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Progress in Energy and Combustion Science, 2023
Xi Zhuo Jiang, Adri van Duin, Kai H Luo
exaly  

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

Journal of Chemical Physics, 2020
Vladimir V. Rybkin, Gregory K Schenter, Thomas D. Kühne   +2 more
exaly  

Scalable molecular dynamics on CPU and GPU architectures with NAMD

Journal of Chemical Physics, 2020
Marcelo C R Melo, Klaus Schulten, John E Stone   +2 more
exaly  

Molecular imaging in oncology: Current impact and future directions

Ca-A Cancer Journal for Clinicians, 2022
Martin G. Pomper, Steven P Rowe
exaly  

The current state of molecular testing in the treatment of patients with solid tumors, 2019

Ca-A Cancer Journal for Clinicians, 2019
Edward S Kim, John Marshall, Jubilee Brown   +2 more
exaly  

Molecular cancer prevention: Current status and future directions

Ca-A Cancer Journal for Clinicians, 2015
Kenneth Y. Tsai, Powel H Brown, Ernest T Hawk   +2 more
exaly  

Molecular Dynamics:  Survey of Methods for Simulating the Activity of Proteins

Chemical Reviews, 2006
James Andrew McCammon
exaly  

Molecular dynamics with coupling to an external bath

Journal of Chemical Physics, 1984
Wilfred F van Gunsteren, H J C Berendsen
exaly  

Dynamics of entangled linear polymer melts:  A molecular‐dynamics simulation

Journal of Chemical Physics, 1990
Gary S. Grest, Kurt Kremer
exaly