molecular electrostatics
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OpenCL for HPC with FPGAs: Case study in molecular electrostatics

2017 ◽  
Author(s):  
Chen Yang ◽  
Jiayi Sheng ◽  
Rushi Patel ◽  
Ahmed Sanaullah ◽  
Vipin Sachdeva ◽  
...  
Keyword(s):  
Molecular Electrostatics

Molecular electrostatics for probing lone pair–π interactions

2013 ◽  
Vol 15 (42) ◽  
pp. 18401 ◽  
Author(s):  
Neetha Mohan ◽  
Cherumuttathu H. Suresh ◽  
Anmol Kumar ◽  
Shridhar R. Gadre
Keyword(s):  
Lone Pair ◽  
Π Interactions ◽  
Molecular Electrostatics

9.11 Molecular Electrostatics and Solvent Effects

2012 ◽  
pp. 190-228 ◽  
Author(s):  
S.A. Hassan ◽  
E.L. Mehler
Keyword(s):  
Solvent Effects ◽  
Molecular Electrostatics

A new boundary integral equation for molecular electrostatics with charges over whole space

2011 ◽  
Vol 51 (4) ◽  
pp. 1051-1071 ◽  
Author(s):  
Dexuan Xie ◽  
L. Ridgway Scott
Keyword(s):  
Integral Equation ◽  
Boundary Integral Equation ◽  
Boundary Integral ◽  
Whole Space ◽  
Molecular Electrostatics

Design of Organic Semiconductors from Molecular Electrostatics†

2011 ◽  
Vol 23 (3) ◽  
pp. 359-377 ◽  
Author(s):  
Georg Heimel ◽  
Ingo Salzmann ◽  
Steffen Duhm ◽  
Norbert Koch
Keyword(s):  
Organic Semiconductors ◽  
Molecular Electrostatics

scholarly journals An Efficient Higher-Order Fast Multipole Boundary Element Solution for Poisson–Boltzmann-Based Molecular Electrostatics

2011 ◽  
Vol 33 (2) ◽  
pp. 826-848 ◽  
Author(s):  
Chandrajit Bajaj ◽  
Shun-Chuan Chen ◽  
Alexander Rand
Keyword(s):  
Boundary Element ◽  
Higher Order ◽  
Element Solution ◽  
Fast Multipole ◽  
Poisson Boltzmann ◽  
Molecular Electrostatics

scholarly journals Fast Molecular Electrostatics Algorithms on GPUs

2011 ◽  
pp. 43-58 ◽  
Author(s):  
David J. Hardy ◽  
John E. Stone ◽  
Kirby L. Vandivort ◽  
David Gohara ◽  
Christopher Rodrigues ◽  
...  
Keyword(s):  
Molecular Electrostatics

The representation of molecular electrostatics using interactive graphics

2009 ◽  
Vol 36 (S16) ◽  
pp. 73-85
Author(s):  
Nigel G. J. Richards ◽  
Sarah L. Price
Keyword(s):  
Interactive Graphics ◽  
Molecular Electrostatics
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