putational materials and chemistry science cen-
ters to develop open-source, robust, and vali-
dated computational codes and user-friendly 
software, coupled with innovative use of experi-
mental and theoretical data, to enable the de-
sign, discovery, and development of new mate-
rials and chemical systems including chemical 
catalysis research and development. These cen-
ters shall also focus on overcoming challenges 
and maximizing the benefits of exascale and 
other high performance computing systems. 
(B) SELECTION.—The Director shall select 
centers under paragraph (1) on a competitive, 
merit-reviewed basis. The Director shall con-
sider applications from the National Labora-
tories, institutes of higher education, multi-in-
stitutional collaborations, and other appropriate 
entities. 
(C) 
DURATION.—A 
center 
established 
under this subsection shall receive support for 
a period of not more than 5 years, subject to 
the availability of appropriations. 
(D) RENEWAL.—Upon the expiration of 
any period of support of a center under this 
subsection, the Director may renew support for 
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the center, on a merit-reviewed basis, for a pe-
riod of not more than 5 years. 
(E) TERMINATION.—Consistent with the 
existing authorities of the Department, the Di-
rector may terminate an underperforming cen-
ter for cause during the performance period. 
(3) MATERIALS RESEARCH DATABASE.— 
(A) IN GENERAL.—The Director shall sup-
port the development of a web-based platform 
to provide access to a database of computed in-
formation on known and predicted materials 
properties and computational tools to accelerate 
breakthroughs in materials discovery and de-
sign. 
(B) PROGRAM.—In carrying out this sec-
tion, the Director shall— 
(i) conduct cooperative research with 
industry, academia, and other research in-
stitutions to facilitate the design of novel 
materials; 
(ii) leverage existing high performance 
computing 
systems 
to 
conduct 
high- 
throughput calculations, and develop com-
putational and data mining algorithms for 
the prediction of material properties; 
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(iii) 
advance 
understanding, 
pre-
diction, and manipulation of materials; 
(iv) strengthen the foundation for new 
technologies and advanced manufacturing; 
and 
(v) drive the development of advanced 
materials for applications that span the 
Department’s missions in energy, environ-
ment, and national security. 
(C) COORDINATION.—In carrying out this 
section, the Director shall leverage programs 
and activities across the Department. 
SEC. 203. ADVANCED SCIENTIFIC COMPUTING RESEARCH. 
(a) PROGRAM.—The Director shall carry out a re-
search, development, and demonstration program to ad-
vance computational and networking capabilities to ana-
lyze, model, simulate, and predict complex phenomena rel-
evant to the development of new energy technologies and 
the competitiveness of the United States. 
(b) BEYOND EXASCALE COMPUTING PROGRAM.— 
(1) IN GENERAL.—The Secretary shall establish 
a program to develop and implement a strategy for 
achieving computing systems with capabilities be-
yond exascale computing systems. In establishing 
this program, the Secretary shall— 
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(A) maintain foundational research pro-
grams in mathematical, computational, and 
computer sciences focused on new and emerging 
computing needs within the mission of the De-
partment, including but not limited to post- 
Moore’s law computing architectures, novel ap-
proaches to modeling and simulation, artificial 
intelligence and scientific machine learning, 
quantum computing, and extreme heterogeneity; 
and 
(B) retain best practices and maintain sup-
port for essential hardware and software ele-
ments of the Exascale Computing Project that 
are necessary for sustaining the vitality of a 
long-term exascale ecosystem. 
(2) REPORT.—Not later than one year after the 
date of the enactment of this Act, the Secretary 
shall submit to the Committee on Science, Space, 
and Technology of the House of Representatives, 
and the Committee on Energy and Natural Re-
sources of the Senate, a report on the development 
and implementation of the strategy outlined in para-
graph (1). 
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(c) APPLIED MATHEMATICS AND SOFTWARE DEVEL-
OPMENT
FOR HIGH-END COMPUTING SYSTEMS, COM-
PUTATIONAL, AND COMPUTER SCIENCES RESEARCH.— 
(1) IN GENERAL.—The Director shall carry out 
activities to develop, test, and support— 
(A) mathematics, models, statistics, and al-
gorithms for modeling complex systems on ad-
vanced computing architectures; and 
(B) tools, languages, programming envi-
ronments, and operations for high-end com-
puting systems (as defined in section 2 of the 
American Super Computing Leadership Act (15 
U.S.C. 5541), as renamed by this section). 
(2) PORTFOLIO BALANCE.—The Director shall 
maintain a balanced portfolio within the advanced 
scientific computing research and development pro-
gram established under section 976 of the Energy 
Policy Act of 2005 (42 U.S.C. 16316) that supports 
robust investment in— 
(A) applied mathematical, computational, 
and computer sciences research needs relevant 
to the mission of the Department, including ac-
tivities related to data science, artificial intel-
ligence, scientific machine learning, quantum 
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information science, and other emerging areas; 
and 
(B) 
associated 
high-performance 
com-
puting hardware and facilities. 
(d) ENERGY EFFICIENT COMPUTING PROGRAM.— 
(1) IN GENERAL.—The Secretary shall support 
a program of fundamental research, development, 
and demonstration of energy efficient computing 
technologies relevant to advanced computing applica-
tions in high performance computing, artificial intel-
ligence, and scientific machine learning. 
(2) EXECUTION.— 
(A) PROGRAM.—In carrying out the pro-
gram, the Secretary shall— 
(i) establish a partnership for Na-
tional Laboratories, industry partners, and 
institutions of higher education for co-
design of energy efficient hardware, tech-
nology, software, and applications across 
all applicable program offices of the De-
partment; 
(ii) develop hardware and software 
technologies that decrease the energy needs 
of advanced computing practices; 
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(iii) consider multiple heterogeneous 
computing architectures, including neuro-
morphic computing, persistent computing, 
and ultrafast networking; and 
(iv) provide, as appropriate, on a com-
petitive, merit-reviewed basis, access for re-
searchers from institutions of higher edu-
cation, National Laboratories, industry, 
and other Federal agencies to the energy 
efficient computing technologies developed 
pursuant to clause (i). 
(B) SELECTION OF PARTNERS.—In select-
ing participants for the partnership established 
under subparagraph (A)(i), the Secretary shall 
select participants through a competitive, merit- 
review process. 
(3) REPORT.—Not later than one year after the 
date of the enactment of this Act, the Secretary 
shall submit to the Committee on Science, Space, 
and Technology of the House of Representatives, 
and the Committee on Energy and Natural Re-
sources of the Senate, a report on— 
(A) the activities conducted under subpara-
graph (A); and 
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(B) the coordination and management of 
the Program to ensure an integrated research 
program across the Department. 
(e) ARTIFICIAL INTELLIGENCE, DATA ANALYTICS, 
AND COMPUTATIONAL RESEARCH.— 
(1) IN
GENERAL.—The Secretary shall carry 
out a program to develop tools for big data analytics 
by utilizing data sets generated by Federal agencies, 
institutions of higher education, nonprofit research 
organizations, and industry in order to advance arti-
ficial intelligence technologies to solve complex, big 
data challenges. The Secretary shall carry out this 
program through a competitive, merit-reviewed proc-
ess, and consider applications from National Labora-
tories, institutions of higher education, multi-institu-
tional collaborations, and other appropriate entities. 
(2) PROGRAM COMPONENTS.—In carrying out 
the program established under paragraph (1), the 
Secretary shall— 
(A) establish a cross-cutting research ini-
tiative to prevent duplication and coordinate re-
search efforts in artificial intelligence and data 
analytics across the Department; 
(B) conduct basic research in modeling 
and simulation, artificial intelligence, machine 
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learning, large-scale data analytics, natural lan-
guage processing, and predictive analysis in 
order to develop novel or optimized predictive 
algorithms suitable for high-performance com-
puting systems and large biomedical data sets; 
(C) develop multivariate optimization mod-
els to accommodate large data sets with vari-
able quality and scale in order to visualize com-
plex systems; 
(D) establish multiple scientific computing 
user facilities to serve as data enclaves capable 
of securely storing data sets created by Federal 
agencies, institutions of higher education, non-
profit organizations, or industry at National 
Laboratories; and 
(E) promote collaboration and data shar-
ing between National Laboratories, research en-
tities, and user facilities of the Department by 
providing the necessary access and secure data 
transfer capabilities. 
(3) REPORT.—Not later than 2 years after the 
date of the enactment of this Act, the Secretary 
shall submit to the Committee on Science, Space, 
and Technology of the House of Representatives and 
the Committee on Energy and Natural Resources of 
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the Senate a report evaluating the effectiveness of 
the pilot program under paragraph (1), including 
basic research discoveries achieved in the course of 
the program and potential opportunities to expand 
the technical capabilities of the Department through 
the development of artificial intelligence and data 
analytics technologies. 
(f) ENERGY SCIENCES NETWORK.— 
(1) IN GENERAL.—The Secretary shall provide 
for an upgrade to the Energy Sciences Network user 
facility in order to meet Federal research needs for 
highly reliable data transport capabilities optimized 
for the requirements of large-scale science. 
(2) CAPABILITIES.—In carrying out paragraph 
(1), the Secretary shall ensure the following capabili-
ties: 
(A) To provide high bandwidth scientific 
networking across the continental United States 
and the Atlantic Ocean. 
(B) To maximize network reliability. 
(C) To protect the network and data from 
cyber-attacks. 
(D) To support exponentially increasing 
levels of data from the Department’s scientific 
user facilities, experiments, and sensors. 
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(E) To integrate heterogeneous computing 
frameworks and systems. 
(g) QUANTUM SCIENCE NETWORK.—The Secretary 
shall provide for a program to support the research, devel-
opment, and demonstration of a quantum computing net-
work, which shall operate as a national user facility. 
(h) WORKFORCE DEVELOPMENT.—The Director of 
the Office of Advanced Scientific Computing Research 
shall support the development of a computational science 
workforce through a program that— 
(1) facilitates collaboration between university 
students and researchers at the National Labora-
tories; and 
(2) endeavors to advance science in areas rel-
evant to the mission of the Department through the 
application of computational science. 
SEC. 204. HIGH ENERGY PHYSICS. 
(a) PROGRAM.—The Director shall carry out a re-
search program on the fundamental constituents of matter 
and energy and the nature of space and time in order to 
support theoretical and experimental research in both ele-
mentary particle physics and fundamental accelerator 
science and technology and understand fundamental prop-
erties of the universe. 
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