Matter Modeling
user avatar
user avatar
user avatar
Phil Hasnip
  • Member for 2 years
  • Last seen more than a week ago
  • UK
Profile Activity
Stats
3,804
reputation
18k
reached
44
answers
0
questions
Communities
About

I am a research software engineer, computational physicist and author of the CASTEP software package (www.castep.org). CASTEP is a materials modelling program based on a reformulation of quantum mechanics known as density functional theory.

Badges
View all badges
This user doesn’t have any gold badges yet.
11
silver badges
28
bronze badges
Top tags
View all tags
232
Score
31
Posts
70
Posts %
70
Score
12
Posts
27
Posts %
55
Score
3
Posts
7
Posts %
33
Score
3
Posts
7
Posts %
28
Score
6
Posts
14
Posts %
28
Score
4
Posts
9
Posts %
Top posts
View all questions and answers
All Questions Answers
Score Newest
answer
25
Why do we have so many DFT codes (softwares)? Are they redundant?
May 14, 2020
answer
18
What are the freely available crystal-structure visualization softwares?
May 15, 2020
answer
17
How should one choose the time step in a molecular dynamics integration?
May 15, 2020
answer
12
Available methods and codes for materials discovery / crystal structure prediction?
Jun 29, 2020
answer
12
Optimization of Gaussian basis sets within the Hartree-Fock Method
Nov 12, 2020
answer
12
What are the positives and negatives of periodic DFT codes that don't use plane-wave basis sets?
Nov 12, 2020
answer
12
I am considering to purchase a GPU. What calculations would need FP32, and what would need FP64?
Mar 4
answer
11
Is there any relation between static correlation and finite-temperature smearing?
Jan 26, 2021
answer
10
In DFT, while studying a system using different exchange-correlation functional approximations, are we expected to check convergence for each method?
May 13, 2020
answer
10
Why the band structure of a slab is not smooth?
Dec 23, 2021

Your privacy

By clicking “Accept all cookies”, you agree Stack Exchange can store cookies on your device and disclose information in accordance with our Cookie Policy.