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Disambiguation of "Walker, Ross C."

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Comparison of basis set effects and the performance of ab initio and DFT methods for probing equilibrium fluctuations.

, , , and . J. Comput. Chem., 28 (2): 478-490 (2007)

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Hans Walker

Horst Walker

Michael Walker

Bernd Walker

Susanne Walker

 

Other publications of authors with the same name

Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST., , , , , and . J. Comput. Chem., 37 (21): 2029-2037 (2016)Comparison of basis set effects and the performance of ab initio and DFT methods for probing equilibrium fluctuations., , , and . J. Comput. Chem., 28 (2): 478-490 (2007)An extensible interface for QM/MM molecular dynamics simulations with AMBER., , and . J. Comput. Chem., 35 (2): 95-108 (2014)Streamlining Development of a Multimillion-Line Computational Chemistry Code., and . Comput. Sci. Eng., 16 (3): 10-17 (2014)Paramfit: Automated optimization of force field parameters for molecular dynamics simulations., and . J. Comput. Chem., 36 (2): 79-87 (2015)Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation, , , , , and . Journal of Chemical Theory and Computation, 10 (7): 2677-2689 (2014)PMID: 25061441.Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution., , , , , and . J. Comput. Chem., 38 (18): 1631-1639 (2017)An investigation of the effects of error correcting code on GPU-accelerated molecular dynamics simulations., and . XSEDE, page 8:1-8:3. ACM, (2013)GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features., , , , , , , , , and . J. Chem. Inf. Model., 58 (10): 2043-2050 (2018)Implementing continuous integration software in an established computational chemistry software package., and . SE-CSE@ICSE, page 68-74. IEEE Computer Society, (2013)