Molecular dynamics without effective potentials via the Car-Parrinello approach
Article Properties
-
LanguageEnglish
-
DOI (url)
-
Publication Date1990/08/20
-
Journal
-
Indian UGC (journal)
-
Refrences67
-
Citations375
-
Dahlia K. Remler a Physical Chemistry Laboratory , Oxford University , South Parks Road, Oxford , OX1 3QZ , U.K.
-
Paul A. Madden a Physical Chemistry Laboratory , Oxford University , South Parks Road, Oxford , OX1 3QZ , U.K.
Journal Categories
Science
Chemistry
Physical and theoretical chemistry
Science
Physics
Science
Physics
Atomic physics
Constitution and properties of matter
You May Also Like
- The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
- Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials
- RI-MP2: first derivatives and global consistency
- Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
- A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
Refrences
| Title | Journal | Journal Categories | Citations | Publication Date |
|---|---|---|---|---|
| Title | 1964 | |||
| Theory of Simple Liquids | 1986 | |||
| MOTECC | 1989 | |||
| D. Phil. thesis | 1989 | |||
| Computer Simulation of Liquids | 1989 |
Citations
| Title | Journal | Journal Categories | Citations | Publication Date |
|---|---|---|---|---|
| Electric field-induced clustering in nanocomposite films of highly polarizable inclusions | Journal of Colloid and Interface Science |
| 2024 | |
| Role of Dynamic Polarization Interactions in the Electrical Double Layer at Calcite (104) Interfaces with Aqueous Solutions | The Journal of Physical Chemistry C |
| 2024 | |
Development and application of hybrid AIMD/cDFT simulations for atomic-to-mesoscale chemistry | The Journal of Chemical Physics |
| 1 | 2024 |
| Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation | Journal of Chemical Theory and Computation |
| 2 | 2023 |
| Shadow Molecular Dynamics and Atomic Cluster Expansions for Flexible Charge Models | Journal of Chemical Theory and Computation |
| 1 | 2023 |
Citations Analysis
The category
Science: Chemistry 249
is the most commonly referenced area in studies that cite this article. The first research to cite this article was titled Correlations in the motion of atoms in liquid silicon and was published in 1991. The most recent citation comes from a 2024 study titled Electric field-induced clustering in nanocomposite films of highly polarizable inclusions. This article reached its peak citation in 1993, with 27 citations. It has been cited in 96 different journals, 3% of which are open access. Among related journals, the The Journal of Chemical Physics cited this research the most, with 103 citations. The chart below illustrates the annual citation trends for this article.