Skip to main content
Matter Modeling
jheindel's user avatar
jheindel's user avatar
jheindel's user avatar
jheindel
  • Member for 4 years, 1 month
  • Last seen this week
Profile Activity
Stats
3,594
reputation
21k
reached
21
answers
16
questions
Communities
View all
Badges
View all badges
This user doesn’t have any gold badges yet.
11
silver badges
25
bronze badges
Top tags
View all tags
65
Score
16
Posts
43
Posts %
42
Score
10
Posts
27
Posts %
29
Score
3
Posts
8
Posts %
19
Score
6
Posts
16
Posts %
17
Score
9
Posts
24
Posts %
14
Score
3
Posts
8
Posts %
Top posts
View all questions and answers
question
26
Benchmark Timings of Machine Learning Potentials vs Molecular Mechanics Force Fields
Sep 1, 2020
question
25
Why do people care about reversibility in molecular dynamics simulations?
Sep 2, 2020
question
24
How exactly does one compute the vibrational density of states from the output of a molecular dynamics simulation?
Sep 15, 2020
answer
15
General Techniques for Smart Sampling in Matter Machine Learning?
Sep 1, 2020
question
14
Have experimental electron densities ever been used in a DFT calculation?
Jul 8, 2022
answer
14
What are the advantages of (semi)-empirical force fields over Machine Learning Potentials?
Mar 2, 2022
answer
12
How exactly does one compute the vibrational density of states from the output of a molecular dynamics simulation?
Oct 2, 2020
question
12
How does one project out the translations and rotations from a Hessian?
Feb 25, 2021
answer
11
Which ensemble to use for a molecular dynamics simulation?
Feb 1, 2021
answer
9
What is the state-of-the-art in current flexible water models?
Oct 2, 2020
Top network posts
View all network posts
47
Are the lone pairs in water equivalent?
33
What is the exchange interaction?
27
Is it true that all of the physical laws and mathematics needed to describe chemistry are known?
26
Why is the van der Waals coefficient b equal to four times the volume of the particle?
23
Mechanistic Explanation of Circular Dichroism