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How error scales with numerical precision in molecular dynamics?

numerical-modelling molecular-dynamics precision

modified 2 hours ago Lutz Lehmann 2,181

2

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1

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2k

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Runge Kutta for wave equation

runge-kutta wave-propagation

modified 4 hours ago Tom Aubier 1

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0

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8

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Relative interior requirement in Slater's condition

optimization convex-optimization

asked 12 hours ago nkyraf33 53

1

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1

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114

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Improving function approximation with neural network

machine-learning approximation

modified 16 hours ago Frosty 17

0

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0

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32

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Definite integral of product of gaussian density times exponential distribution

scipy integration

modified 22 hours ago Marcella 1

0

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19

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Algorithm for Gaussian random field generation via Karhnunen--Loeve expansion

random-sampling

asked 23 hours ago Dmitry Kabanov 508

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2

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127

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Dealing neighbor list in NVT Monte Carlo (MC) simulation

algorithms monte-carlo

modified yesterday Anton Menshov♦ 7,863

0

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1

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90

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why is complex step differentation better than central differences

finite-difference

answered yesterday Nachiket 342

2

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2

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134

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OpenMP: parallelizing calculation of pair interaction forces

computational-physics parallel-computing c

modified yesterday CLP 31

0

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0

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62

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Weak form of Elliptic problem with mixed Dirichlet & Neumann conditions

finite-element boundary-conditions weak-solution l2-norm

modified yesterday Mr.Podilatis 63

-1

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1

answer

60

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In a random walk simulation, how do I get the mean and standard deviation of how many times the walk returns to the origin?

python simulation random-walk

modified 2 days ago Applesauce44 9

0

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1

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105

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R function or package for carrying out maximum likelihood techniques in random effect models

optimization r

modified 2 days ago Community♦ 1

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0

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41

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Mesh aspect ratio issue with adaptive mesh refinement (AMR)

modified 2 days ago Freewill 1

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0

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14

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Reducing the frequency resolution for a short pulse by applying the SVEA - how to keep frequency?

fourier-transform

asked 2 days ago arc_lupus 501

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