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Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel's HPC Architectures: a Living Review Article v1.0.

L. Jolly, A. Duran, L. Lagardère, J. Ponder, P. Ren, and J. Piquemal. CoRR, (2019)

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Sreehari Jayaram University of Stuttgart

Sidharth Jaya Sankar University of Stuttgart

Tim W{\"{u}}rtele

Kent W. Stewart

Other publications of authors with the same name

Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.C. Narth, L. Lagardère, É. Polack, N. Gresh, Q. Wang, D. Bell, J. Rackers, J. Ponder, P. Ren, and J. Piquemal. Journal of Computational Chemistry, 37 (5): 494-506 (2016)Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular SimulationsF. Aviat, A. Levitt, B. Stamm, Y. Maday, P. Ren, J. Ponder, L. Lagardere, and J. Piquemal. Journal of Chemical Theory and Computation, 13 (1): 180-190 (2017)Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations.P. Ren, and J. Ponder. Journal of Computational Chemistry, 23 (16): 1497-1506 (2002)Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fieldsL. Lagardère, L. Jolly, F. Lipparini, F. Aviat, B. Stamm, Z. Jing, M. Harger, H. Torabifard, G. Cisneros, M. Schnieders and 5 other author(s). Chemical Science, (2018)Protein structure prediction using a combination of sequence homology and global energy minimization: II. Energy functions.M. Dudek, K. Ramnarayan, and J. Ponder. Journal of Computational Chemistry, 19 (5): 548-573 (1998)A valence bond model for aqueous Cu(II) and Zn(II) ions in the AMOEBA polarizable force field.J. Xiang, and J. Ponder. Journal of Computational Chemistry, 34 (9): 739-749 (2013)Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs.M. Harger, D. Li, Z. Wang, K. Dalby, L. Lagardère, J. Piquemal, J. Ponder, and P. Ren. Journal of Computational Chemistry, 38 (23): 2047-2055 (2017)Multipole electrostatics in hydration free energy calculations.Y. Shi, C. Wu, J. Ponder, and P. Ren. Journal of Computational Chemistry, 32 (5): 967-977 (2011)Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel's HPC Architectures: a Living Review Article v1.0.L. Jolly, A. Duran, L. Lagardère, J. Ponder, P. Ren, and J. Piquemal. CoRR, (2019)Exploring the similarities between potential smoothing and simulated annealing.R. Hart, R. Pappu, and J. Ponder. Journal of Computational Chemistry, 21 (7): 531-552 (2000)

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Disambiguation of "Ponder, Jay W."

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Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel's HPC Architectures: a Living Review Article v1.0.

Please choose a person to relate this publication to

Sreehari Jayaram University of Stuttgart

Sidharth Jaya Sankar University of Stuttgart

Tim W{\"{u}}rtele

Tim W{\"{u}}rtele

Kent W. Stewart

Other publications of authors with the same name

Disambiguation

PUMA

Disambiguation of "Ponder, Jay W."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel's HPC Architectures: a Living Review Article v1.0.

Please choose a person to relate this publication to

Sreehari Jayaram University of Stuttgart

Sidharth Jaya Sankar University of Stuttgart

Tim W{\"{u}}rtele

Tim W{\"{u}}rtele

Kent W. Stewart

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
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APA
Chicago
DIN 1505
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Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel's HPC Architectures: a Living Review Article v1.0.