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Blogs about: Mqmas

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CUDA part I

NMR can provide unparalleled insight into local atomic structural details, although in the solid state interpretation of lineshapes is hindered by anisotropic broadening, eg., the attached MQMAS spect… more →

mottled memes

CUDA part I

bbrouwer wrote 8 months ago: NMR can provide unparalleled insight into local atomic structural details, although in the solid sta … more →

Tags: experimental physics, GPGPU, nuclear magnetic resonance, Programming, Cuda, NMR

MQMAS sim paper in press

bbrouwer wrote 8 months ago: Abstract: The majority of nuclei available for study in solid state Nuclear Magnetic Resonance have … more →

Tags: Algorithms, Monte Carlo, nuclear magnetic resonance, Numerical methods, jackknife, NMR, OpenMP, quadrupole interaction, quasi-random numbers

Norm Conserving Pseudopotentials I

bbrouwer wrote 11 months ago: Excellent description by Eberhard Engel here I’m in the process of trying to create a large nu … more →

Tags: ab initio, Cyber, Machine learning, nuclear magnetic resonance, Norm Conserving, Pseudopotentials, Support vector machines, Troullier-Martins

Microsoft eScience presentation 12/08/08

bbrouwer wrote 11 months ago: msoft1208 … more →

Tags: ab initio, Cyber, Machine learning, nuclear magnetic resonance, Support vector machines


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