From owner-chemistry@ccl.net Sun Aug 7 06:04:01 2011 From: "Olalla Nieto Faza faza]=[uvigo.es" To: CCL Subject: CCL: Molecular dynamics in materials Message-Id: <-45216-110807055254-20968-GLcPSipGKx7OypmaUPsMYQ[-]server.ccl.net> X-Original-From: Olalla Nieto Faza Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1 Date: Sun, 07 Aug 2011 11:51:08 +0200 MIME-Version: 1.0 Sent to CCL by: Olalla Nieto Faza [faza{}uvigo.es] I'm interested in performing some molecular dynamics simulations in materials (both crystalline and amorphous phases) using interatomic potentials (not ab-initio MD). Do you know of any available code (either commercial or not) that could be suitable for this, or do you use our own programs for this? Regards, Olalla -- Dr. Olalla Nieto Faza Universidade de Vigo From owner-chemistry@ccl.net Sun Aug 7 17:45:00 2011 From: "Edmanuel Torres torresam _ ualberta.ca" To: CCL Subject: CCL: Molecular dynamics in materials Message-Id: <-45217-110807174250-27959-PHHR55a247ZXBgAIEzyGIA!=!server.ccl.net> X-Original-From: Edmanuel Torres Content-Type: multipart/alternative; boundary=000e0cd20dd8bd98ae04a9f135d2 Date: Sun, 7 Aug 2011 15:42:40 -0600 MIME-Version: 1.0 Sent to CCL by: Edmanuel Torres [torresam*_*ualberta.ca] --000e0cd20dd8bd98ae04a9f135d2 Content-Type: text/plain; charset=ISO-8859-1 Hi Olalla, For this kind of questions you can try first a search engine: http://en.wikipedia.org/wiki/List_of_software_for_molecular_mechanics_modeling ET On Sun, Aug 7, 2011 at 3:51 AM, Olalla Nieto Faza faza]=[uvigo.es < owner-chemistry%ccl.net> wrote: > > Sent to CCL by: Olalla Nieto Faza [faza{}uvigo.es] > I'm interested in performing some molecular dynamics simulations in > materials (both crystalline and amorphous phases) using interatomic > potentials (not ab-initio MD). > Do you know of any available code (either commercial or not) that could > be suitable for this, or do you use our own programs for this? > > > Regards, > > Olalla > > -- > Dr. Olalla Nieto Faza > Universidade de Vigo> > > --000e0cd20dd8bd98ae04a9f135d2 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Hi Olalla,

For this kind of questions you can try first a search eng= ine:

http://en.wikipedia.org/wiki/List_of_software_f= or_molecular_mechanics_modeling

ET

On Sun, Aug 7, 2011 at 3:51 AM, Ol= alla Nieto Faza faza]=3D[uvigo.es <owner-chemistry%ccl= .net> wrote:

Sent to CCL by: Olalla Nieto Faza [faza{}uvigo.es]
I'm interested in performing some molecular dynamics simulations in
materials (both crystalline and amorphous phases) using interatomic
potentials (not ab-initio MD).
Do you know of any available code (either commercial or not) that could
be suitable for this, or do you use our own programs for this?


Regards,

Olalla

--
Dr. Olalla Nieto Faza
Universidade de Vigo



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