MODYLAS: A highly parallelized general-purpose molecular dynamics simulation program.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 342, doi. 10.1002/qua.24841
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2015 AND VI 115 AND IP 5
Results: 15
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NTChem: A high-performance software package for quantum molecular simulation.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 349, doi. 10.1002/qua.24860
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- Publication type:
- Article
3
Preface.
- Published in:
- 2015
- By:
- Publication type:
- Editorial
4
Cover Image, Volume 115, Issue 5.
- Published in:
- 2015
- Publication type:
- Other
5
Inside Cover, Volume 115, Issue 5.
- Published in:
- 2015
- Publication type:
- Other
6
Massively parallel MP2-F12 calculations on the K computer.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 333, doi. 10.1002/qua.24819
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- Publication type:
- Article
7
Issue information.
- Published in:
- 2015
- Publication type:
- Other
8
REIN: Replica-exchange INterface for simulating protein dynamics and function.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 325, doi. 10.1002/qua.24785
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- Publication type:
- Article
9
Local response dispersion method: A density-dependent dispersion correction for density functional theory.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 309, doi. 10.1002/qua.24786
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- Publication type:
- Article
10
Chemical reaction analyses based on orbitals and orbital energies.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 270, doi. 10.1002/qua.24805
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- Publication type:
- Article
11
Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 283, doi. 10.1002/qua.24808
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- Publication type:
- Article
12
Reaction coordinates for elucidating reaction dynamics with anharmonic couplings.
- Published in:
- 2015
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- Publication type:
- Other
13
Intrinsic reaction coordinate: Calculation, bifurcation, and automated search.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 258, doi. 10.1002/qua.24757
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- Publication type:
- Article
14
Large-scale two-component relativistic quantum-chemical theory: Combination of the infinite-order douglas-kroll-hess method with the local unitary transformation scheme and the divide-and-conquer method.
- Published in:
- 2015
- By:
- Publication type:
- Other
15
Quantal cumulant dynamics for real-time simulations of quantum many-body systems.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 5, p. 300, doi. 10.1002/qua.24820
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- Publication type:
- Article