J. Contreras‐García
Journal of Chemical Theory and Computation · 2010–2017
A researcher in the Science corpus: 7 papers; trusts 1 researcher and is trusted by 2 researchers here, as inferred from the citation graph.
Whom J. Contreras‐García trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts J. Contreras‐García overall
Papers from J. Contreras‐García's perspective
Ordered by how strongly the researchers J. Contreras‐García trusts endorse each paper. Same corpus, a different order for every researcher.
- Practical Methods of Optimization: Fletcher/Practical Methods of Optimization
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials (Journal of Physics: Condensed Matter)
- Chapter 41 – Advances in electronic structure theory: GAMESS a decade later
- Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale
- The Design and Implementation of FFTW3
- On Solving Mathematical Programs With Complementarity Constraints As Nonlinear Programs
- Convergence Properties of a Regularization Scheme for Mathematical Programs with Complementarity Constraints (SIAM Journal on Optimization)
- Some NP-complete problems in quadratic and nonlinear programming
- On the Barzilai-Borwein Method
- On the Global Convergence of a Filter--SQP Algorithm (SIAM Journal on Optimization)
Their papers
- Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds. (2013) — 270 citations
- Revealing Non-Covalent Interactions (2010) — 7,703 citations
- NCIPLOT: a program for plotting non-covalent interaction regions (2011) — 3,293 citations
- Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density. (2017) — 1,019 citations
- A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry? (2016) — 191 citations
- Interpretation of the reduced density gradient (2016) — 140 citations
- Are Bond Critical Points Really Critical for Hydrogen Bonding? (2013) — 425 citations