Duo Song

Dr. Duo Song

Pacific Northwest National Laboratory, Richland, Mississippi, USA
orcid

Research Focus & Metrics

Academic Career Length

17Years (2010-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

View All Publications
11 May 2020 in The Journal of Chemical Physics
Verified
Journal Article
Open access
PDF file
EAE. Aprà
E. Aprà
EBE. J. Bylaska
E. J. Bylaska
WJW. A. de Jong
W. A. de Jong
NGN. Govind
N. Govind
KKKarol Kowalski
Karol Kowalski
RHR. J. Harrison
R. J. Harrison
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach, and outlook.

1 June 2010 in Journal of Power Sources
Verified
Journal Article
Closed access
FHFei He
Fei He
DSDuo Song
Duo Song
RPRanran Peng
Ranran Peng
GMGuangyao Meng
Guangyao Meng
SYShangfeng Yang
Shangfeng Yang

22 December 2020 in Environmental Science & Technology
Verified
Journal Article
Closed access
MZMeirong Zong
Meirong Zong
DSDuo Song
Duo Song
Xin ZhangXin Zhang
Xin Zhang
XHXiaopeng Huang
Xiaopeng Huang
XLXiancai Lu
Xiancai Lu
KRKevin M. Rosso
Kevin M. Rosso

25 January 2023 in Journal of the American Chemical Society
Verified
Journal Article
Closed access
NLNabajit Lahiri
Nabajit Lahiri
DSDuo Song
Duo Song
Xin ZhangXin Zhang
Xin Zhang
XHXiaopeng Huang
Xiaopeng Huang
Kelsey StoerzingerKelsey Stoerzinger
Kelsey Stoerzinger
KRKevin M. Rosso
Kevin M. Rosso

4 January 2022 in Environmental Science & Technology
Verified
Journal Article
Closed access
PCPing Chen
Ping Chen
DSDuo Song
Duo Song
Xin ZhangXin Zhang
Xin Zhang
QXQiaoqin Xie
Qiaoqin Xie
YZYuefei Zhou
Yuefei Zhou
KRKevin M. Rosso
Kevin M. Rosso

27 December 2022 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
JPJohn P. Perdew
John P. Perdew
SCShah Tanvir Ur Rahman Chowdhury
Shah Tanvir Ur Rahman Chowdhury
CSChandra Shahi
Chandra Shahi
AKAaron D. Kaplan
Aaron D. Kaplan
DSDuo Song
Duo Song
EBEric J. Bylaska
Eric J. Bylaska