New materials design

Jerry Boatz; Mark S. Gordon; Gregory Voth; Sharon Hammes-Schiffer; Ruth Pachter

doi:10.1007/3-540-45545-0_122

New materials design

Jerry Boatz, Mark S. Gordon, Gregory Voth, Sharon Hammes-Schiffer, Ruth Pachter

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

In this paper we report our recent results on the design of materials with controlled properties by the application of computational chemistry methods, new algorithms and scalable software.

Original language	English (US)
Title of host publication	Computational Science - ICCS 2001 - International Conference, 2001, Proceedings
Editors	Vassil N. Alexandrov, Jack J. Dongarra, Benjoe A. Juliano, René S. Renner, C.J. Kenneth Tan
Publisher	Springer Verlag
Pages	1108-1116
Number of pages	9
ISBN (Print)	3540422323, 9783540422327
DOIs	https://doi.org/10.1007/3-540-45545-0_122
State	Published - 2001
Externally published	Yes
Event	International Conference on Computational Science, ICCS 2001 - San Francisco, United States Duration: May 28 2001 → May 30 2001

Publication series

Name	Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Volume	2073
ISSN (Print)	0302-9743
ISSN (Electronic)	1611-3349

Conference

Conference	International Conference on Computational Science, ICCS 2001
Country/Territory	United States
City	San Francisco
Period	5/28/01 → 5/30/01

All Science Journal Classification (ASJC) codes

Theoretical Computer Science
General Computer Science

Access to Document

10.1007/3-540-45545-0_122

Cite this

Boatz, J., Gordon, M. S., Voth, G., Hammes-Schiffer, S., & Pachter, R. (2001). New materials design. In V. N. Alexandrov, J. J. Dongarra, B. A. Juliano, R. S. Renner, & C. J. Kenneth Tan (Eds.), Computational Science - ICCS 2001 - International Conference, 2001, Proceedings (pp. 1108-1116). (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 2073). Springer Verlag. https://doi.org/10.1007/3-540-45545-0_122

Boatz, Jerry ; Gordon, Mark S. ; Voth, Gregory et al. / New materials design. Computational Science - ICCS 2001 - International Conference, 2001, Proceedings. editor / Vassil N. Alexandrov ; Jack J. Dongarra ; Benjoe A. Juliano ; René S. Renner ; C.J. Kenneth Tan. Springer Verlag, 2001. pp. 1108-1116 (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)).

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title = "New materials design",

abstract = "In this paper we report our recent results on the design of materials with controlled properties by the application of computational chemistry methods, new algorithms and scalable software.",

author = "Jerry Boatz and Gordon, {Mark S.} and Gregory Voth and Sharon Hammes-Schiffer and Ruth Pachter",

note = "Publisher Copyright: {\textcopyright} Springer-Verlag Berlin Heidelberg 2001.; International Conference on Computational Science, ICCS 2001 ; Conference date: 28-05-2001 Through 30-05-2001",

year = "2001",

doi = "10.1007/3-540-45545-0_122",

language = "English (US)",

isbn = "3540422323",

series = "Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)",

publisher = "Springer Verlag",

pages = "1108--1116",

editor = "Alexandrov, {Vassil N.} and Dongarra, {Jack J.} and Juliano, {Benjoe A.} and Renner, {Ren{\'e} S.} and {Kenneth Tan}, C.J.",

booktitle = "Computational Science - ICCS 2001 - International Conference, 2001, Proceedings",

address = "Germany",

}

Boatz, J, Gordon, MS, Voth, G, Hammes-Schiffer, S & Pachter, R 2001, New materials design. in VN Alexandrov, JJ Dongarra, BA Juliano, RS Renner & CJ Kenneth Tan (eds), Computational Science - ICCS 2001 - International Conference, 2001, Proceedings. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), vol. 2073, Springer Verlag, pp. 1108-1116, International Conference on Computational Science, ICCS 2001, San Francisco, United States, 5/28/01. https://doi.org/10.1007/3-540-45545-0_122

New materials design. / Boatz, Jerry; Gordon, Mark S.; Voth, Gregory et al.
Computational Science - ICCS 2001 - International Conference, 2001, Proceedings. ed. / Vassil N. Alexandrov; Jack J. Dongarra; Benjoe A. Juliano; René S. Renner; C.J. Kenneth Tan. Springer Verlag, 2001. p. 1108-1116 (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 2073).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

TY - GEN

T1 - New materials design

AU - Boatz, Jerry

AU - Gordon, Mark S.

AU - Voth, Gregory

AU - Hammes-Schiffer, Sharon

AU - Pachter, Ruth

N1 - Publisher Copyright: © Springer-Verlag Berlin Heidelberg 2001.

PY - 2001

Y1 - 2001

N2 - In this paper we report our recent results on the design of materials with controlled properties by the application of computational chemistry methods, new algorithms and scalable software.

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DO - 10.1007/3-540-45545-0_122

M3 - Conference contribution

AN - SCOPUS:84949657207

SN - 3540422323

SN - 9783540422327

T3 - Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

SP - 1108

EP - 1116

BT - Computational Science - ICCS 2001 - International Conference, 2001, Proceedings

A2 - Alexandrov, Vassil N.

A2 - Dongarra, Jack J.

A2 - Juliano, Benjoe A.

A2 - Renner, René S.

A2 - Kenneth Tan, C.J.

PB - Springer Verlag

T2 - International Conference on Computational Science, ICCS 2001

Y2 - 28 May 2001 through 30 May 2001

ER -

Boatz J, Gordon MS, Voth G, Hammes-Schiffer S, Pachter R. New materials design. In Alexandrov VN, Dongarra JJ, Juliano BA, Renner RS, Kenneth Tan CJ, editors, Computational Science - ICCS 2001 - International Conference, 2001, Proceedings. Springer Verlag. 2001. p. 1108-1116. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)). doi: 10.1007/3-540-45545-0_122

New materials design

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All Science Journal Classification (ASJC) codes

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