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Publications by Roger D. Amos
The SMFA Program for Quantum Chemistry Calculations on Large Molecules
Wiley Interdisciplinary Reviews: Computational Molecular Science
Biochemistry
Theoretical Chemistry
Materials Chemistry
Computer Science Applications
Computational Mathematics
Physical
Related publications
A Robust Non-Self-Consistent Tight-Binding Quantum Chemistry Method for Large Molecules
CASSCF Linear Response Calculations for Large Open-Shell Molecules
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units
Computing in Science and Engineering
Engineering
Computer Science
Molscat: A Program for Non-Reactive Quantum Scattering Calculations on Atomic and Molecular Collisions
Computer Physics Communications
Hardware
Astronomy
Physics
Architecture
QMC=Chem: A Quantum Monte Carlo Program for Large-Scale Simulations in Chemistry at the Petascale Level and Beyond
Lecture Notes in Computer Science
Computer Science
Theoretical Computer Science
Purchase of an Array Processor to Enhance Quantum Chemistry Calculations.
Numerical Calculations of the Probabilities for Quantum Transitions in Atoms and Molecules by the Path Integral Method
EPJ Web of Conferences
Astronomy
Physics
Application of Explicitly Correlated Gaussian Functions to Large Scale Calculations on Small Atoms and Molecules
Computational Methods in Science and Technology
Fully Self-Consistent GW Calculations for Molecules
Physical Review B
