Timeline for Does there exist a free good molecule / atom simulation software?
Current License: CC BY-SA 3.0
12 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Aug 4, 2019 at 11:02 | history | made wiki | Post Made Community Wiki by Qmechanic♦ | ||
| Jul 24, 2013 at 15:33 | comment | added | cspirou | Good answer. In the papers I read I almost always see VMD. | |
| Jul 30, 2011 at 16:13 | comment | added | Valmond | @TheSheepMan: Thanks I'll do that! ps. it is OK if it comes from a secret lab as long as I can have access to the information ;-) | |
| Jul 30, 2011 at 15:55 | comment | added | TheSheepMan | Actually, I'm wondering how much that counts as a 'secret lab'... | |
| Jul 30, 2011 at 15:52 | comment | added | TheSheepMan | @Valmond, for some very cool M.D. papers, be sure to check out the publications coming from David Shaw's research group: (deshawresearch.com) | |
| May 24, 2011 at 11:40 | vote | accept | Valmond | ||
| May 24, 2011 at 11:40 | vote | accept | Valmond | ||
| May 24, 2011 at 11:40 | |||||
| May 24, 2011 at 11:39 | comment | added | Valmond | Oh thanks you both, I definitely got an answer for my question so I'll marked it as such, now I got a lot more information to dig through, I feel I'll be back for more :-) | |
| May 24, 2011 at 9:25 | comment | added | BjornW | hehe.. yes, there could be written so much on the subject and I had to stop somewhere. the scaling problem is a big problem even for Moore's law as (for MD) it starts at O(N^2) and even with O(N*logN) scaling, a 3D box increases its volume VERY fast :/ | |
| May 24, 2011 at 9:18 | comment | added | Richard Terrett | I would like to add that the thing that makes QM calculations slow is the scaling of the algorithms involved, which can render calculations above a certain size infeasible on any conventional computer (some methods scale factorially with the number of electrons IIRC!). | |
| May 24, 2011 at 9:11 | comment | added | Richard Terrett | Darn, you beat me to the punch. :D | |
| May 24, 2011 at 8:58 | history | answered | BjornW | CC BY-SA 3.0 |