Cargando…
The Matter Simulation (R)evolution
[Image: see text] To date, the program for the development of methods and models for atomistic and continuum simulation directed toward chemicals and materials has reached an incredible degree of sophistication and maturity. Currently, one can witness an increasingly rapid emergence of advances in c...
Autores principales: | Aspuru-Guzik, Alán, Lindh, Roland, Reiher, Markus |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2018
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5832995/ https://www.ncbi.nlm.nih.gov/pubmed/29532014 http://dx.doi.org/10.1021/acscentsci.7b00550 |
Ejemplares similares
-
How machine learning can assist the interpretation of ab initio molecular dynamics simulations and conceptual understanding of chemistry
por: Häse, Florian, et al.
Publicado: (2018) -
Automatic Differentiation in Quantum Chemistry with
Applications to Fully Variational Hartree–Fock
por: Tamayo-Mendoza, Teresa, et al.
Publicado: (2018) -
Adiabatic Quantum Simulation of Quantum Chemistry
por: Babbush, Ryan, et al.
Publicado: (2014) -
Efficiency of energy funneling in the photosystem II supercomplex of higher plants
por: Kreisbeck, Christoph, et al.
Publicado: (2016) -
You Wouldn’t Download a Molecule! Now, ChemSCAD Makes It Possible
por: Seifrid, Martin, et al.
Publicado: (2021)