H. Schlegel
Optimization & Training · 2000–2006
A researcher in the Science corpus: 8 papers; trusts 7 researchers and is trusted by 3 researchers here, as inferred from the citation graph.
Subfields
- Optimization & Training — 10 citations into it
Whom H. Schlegel trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
- Roger Fletcher
- John E. Dennis Jr.
- Bobby Schnabel
- Jorge Nocedal
- Richard H. Byrd
- David F. Shanno
- C. G. Broyden
- Donald Goldfarb
- Dong C. Liu
Who trusts H. Schlegel overall
Papers from H. Schlegel's perspective
Ordered by how strongly the researchers H. Schlegel trusts endorse each paper. Same corpus, a different order for every researcher.
- Numerical methods for unconstrained optimization and nonlinear equations
- Molecular modelling: Principles and applications
- Updating Quasi-Newton Matrices With Limited Storage
- Practical Methods of Optimization: Fletcher/Practical Methods of Optimization
- On the limited memory BFGS method for large scale optimization
- Some NP-complete problems in quadratic and nonlinear programming
- SNOPT: An SQP Algorithm for Large-Scale Constrained Optimization (SIAM Journal on Optimization)
- A New Approach to Variable Metric Algorithms
- Function minimization by conjugate gradients
- The solution of nonlinear finite element equations
Their papers
- Geometry optimization with QM/MM methods II: Explicit quadratic coupling (2006) — 139 citations
- Using Hessian Updating To Increase the Efficiency of a Hessian Based Predictor-Corrector Reaction Path Following Method. (2005) — 870 citations
- Accurate reaction paths using a Hessian based predictor-corrector integrator. (2004) — 832 citations
- Exploring potential energy surfaces for chemical reactions: An overview of some practical methods (2003) — 350 citations
- Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints (2003) — 528 citations
- Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set (2001) — 389 citations
- Molecular Orbital Study of the First Excited State of the OLED Material Tris(8-hydroxyquinoline)aluminum(III) (2001) — 190 citations
- Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-State Two-Mode Pathway in Polymethine Cyanines (2000) — 146 citations