David E. Manolopoulos
Atomic and Molecular Physics, and Optics · 2000–2014
A researcher in the Science corpus: 8 papers; trusts 8 researchers and is trusted by 12 researchers here, as inferred from the citation graph.
Subfields
- Atomic and Molecular Physics, and Optics — 18 citations into it; #1,523 of 7,135 by trust here, #2,592 by citations
- Molecular Biology — 9 citations into it
- Physical and Theoretical Chemistry — 6 citations into it
- Statistical and Nonlinear Physics — 6 citations into it; #3,361 of 10,127 by trust here, #6,421 by citations
- Materials Chemistry — 5 citations into it
Whom David E. Manolopoulos trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
- Michele Parrinello
- Giovanni Bussi
- Axel D. Becke
- Kieron Burke
- Michele Ceriotti
- Roberto Car
- Peter G. Bolhuis
Who trusts David E. Manolopoulos overall
Papers from David E. Manolopoulos's perspective
Ordered by how strongly the researchers David E. Manolopoulos trusts endorse each paper. Same corpus, a different order for every researcher.
- Density-functional exchange-energy approximation with correct asymptotic behavior.
- Transition path sampling: throwing ropes over rough mountain passes, in the dark. (Annual review of physical chemistry (Print))
- Robust Periodic Hartree-Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets. (Journal of Chemical Theory and Computation)
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.
- Predicting crystal structure by merging data mining with quantum mechanics
- Unified approach for molecular dynamics and density-functional theory.
- Polymorphic transitions in single crystals: A new molecular dynamics method
- Canonical sampling through velocity rescaling. (Journal of Chemical Physics)
- Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory
- OpenMM: A Hardware Independent Framework for Molecular Simulations
Their papers
- i-PI: A Python interface for ab initio path integral molecular dynamics simulations (2014) — 260 citations
- Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase space. (2013) — 625 citations
- Efficient stochastic thermostatting of path integral molecular dynamics. (2010) — 367 citations
- Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics. (2004) — 756 citations
- Derivation and reflection properties of a transmission-free absorbing potential (2002) — 227 citations
- Coupled-channel statistical theory of the and insertion reactions (2001) — 142 citations
- ABC: a quantum reactive scattering program (2000) — 411 citations
- Observation of a transition state resonance in the integral cross section of the F+HD reaction (2000) — 177 citations