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2023 Roadmap on mol...
2023 Roadmap on molecular modelling of electrochemical energy materials
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- Zhang, Chao (författare)
- Uppsala universitet,Strukturkemi,Wallenberg Initiative Materials Science for Sustainability,Uppsala University, Sweden
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- Cheng, Jun (författare)
- Xiamen Univ, Coll Chem & Chem Engn, IChEM, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China.,Xiamen University, China
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- Chen, Yiming (författare)
- Ctr Nanoscale Mat, Argonne Natl Lab, 9700 Cass Ave, Lemont, IL 60439 USA.,Argonne National Laboratory, USA
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- Chan, Maria K. Y. (författare)
- Ctr Nanoscale Mat, Argonne Natl Lab, 9700 Cass Ave, Lemont, IL 60439 USA.
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- Cai, Qiong (författare)
- Univ Surrey, Sch Chem & Chem Engn, Fac Engn & Phys Sci, Guildford GU27XH, England.;Faraday Inst, Quad One Harwell Campus, Didcot OX11 0RA, England.,University of Surrey, United Kingdom; The Faraday Institution, United Kingdom
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- Carvalho, Rodrigo P. (författare)
- Uppsala universitet,Materialteori,Strukturkemi,Uppsala University, Sweden
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- Marchiori, Cleber (författare)
- Karlstads universitet,Institutionen för ingenjörsvetenskap och fysik (from 2013),Karlstad Univ, Dept Engn & Phys, S-65188 Karlstad, Sweden.,Karlstad University
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- Brandell, Daniel, 1975- (författare)
- Uppsala universitet,Strukturkemi,Uppsala University, Sweden
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- Araujo, C. Moyses, 1975- (författare)
- Karlstads universitet,Uppsala universitet,Materialteori,Karlstad Univ, Dept Engn & Phys, S-65188 Karlstad, Sweden,Institutionen för ingenjörsvetenskap och fysik (from 2013),Uppsala University, Sweden,Karlstad University
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- Chen, Ming (författare)
- Huazhong Univ Sci & Technol, Sch Energy & Power Engn, State Key Lab Coal Combust, Wuhan 430074, Peoples R China.,Huazhong University of Science and Technology, China
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- Ji, Xiangyu (författare)
- Huazhong Univ Sci & Technol, Sch Energy & Power Engn, State Key Lab Coal Combust, Wuhan 430074, Peoples R China.,Huazhong University of Science and Technology, China
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- Feng, Guang (författare)
- Huazhong Univ Sci & Technol, Sch Energy & Power Engn, State Key Lab Coal Combust, Wuhan 430074, Peoples R China.,Huazhong University of Science and Technology, China
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- Goloviznina, Kateryna (författare)
- Sorbonne Univ, CNRS, Phys Chim Electrolytes & Nanosyst Interfaciaux, PHENIX, F-75005 Paris, France.,Sorbonne Université, France
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- Serva, Alessandra (författare)
- Sorbonne Univ, CNRS, Phys Chim Electrolytes & Nanosyst Interfaciaux, PHENIX, F-75005 Paris, France.,Sorbonne Université, France
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- Salanne, Mathieu (författare)
- Sorbonne Univ, CNRS, Phys Chim Electrolytes & Nanosyst Interfaciaux, PHENIX, F-75005 Paris, France.;Inst Univ France IUF, F-75231 Paris, France.,Sorbonne Université, France; Institut Universitaire de France, fRANCE,Institut Universitaire de France
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- Mandai, Toshihiko, 1984 (författare)
- Natl Inst Mat Sci, Ctr Green Res Energy & Environm Mat, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan.,National Institute for Materials Science, Japan,National Institute for Materials Science (NIMS)
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- Hosaka, Tomooki (författare)
- Tokyo Univ Sci, Dept Appl Chem, 1-3 Kagurazaka Shinjuku, Tokyo, Japan.,Tokyo University of Science, Japan
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- Alhanash, Mirna, 1995 (författare)
- Chalmers Univ Technol, Dept Phys, S-41296 Gothenburg, Sweden.,Chalmers University of Technology, Sweden,Chalmers tekniska högskola
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- Johansson, Patrik, 1969 (författare)
- Chalmers Univ Technol, Dept Phys, S-41296 Gothenburg, Sweden.;Alistore ERI, CNRS FR 3104, 15 Rue Baudelocque, F-80039 Amiens, France.,Chalmers University of Technology, Sweden; Alistore-ER, France,Chalmers tekniska högskola,Alistore - European Research Institute
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- Qiu, Yun-Ze (författare)
- Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China.,Tsinghua University, China
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- Xiao, Hai (författare)
- Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China.,Tsinghua University, China
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- Eikerling, Michael (författare)
- Forschungszentrum Julich GmbH, Julich, Germany.;Rhein Westfal TH Aachen, Julich, Germany.,Forschungszentrum Jülich GmbH and RWTH Aachen University, Germany,Rheinisch-Westfaelische Technische Hochschule Aachen,RWTH Aachen University
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- Jinnouchi, Ryosuke (författare)
- Toyota Cent Res & Dev Labs Inc, 41-1 Yokomichi, Nagakute, Aichi 4801192, Japan.,Toyota Central R&D Labs, Japan
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- Melander, Marko M. (författare)
- Univ Jyvaskyla, Dept Chem, Jyvaskyla, Finland.,University of Jyväskylä, Finland,Korea Advanced Institute of Science and Technology, South Korea,Korea Adv Inst Sci & Technol, Dept Chem, Daejeon 34141, South Korea.,Jyväskylän Yliopisto,Korea Advanced Institute of Science and Technology (KAIST)
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- Kastlunger, Georg (författare)
- Tech Univ Denmark, Dept Phys, Lyngby, Denmark.,Technical University of Denmark, Denmark,Danmarks Tekniske Universitet
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- Bouzid, Assil (författare)
- Ctr Europeen Ceram, Inst Rech Ceram IRCER, 12 Rue Atlantis, F-87068 Limoges, France.,Institut de Recherche sur les Céramiques (IRCER), France
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- Pasquarello, Alfredo (författare)
- Ecole Polytech Fed Lausanne EPFL, Chaire Simulationa Echelle Atom CSEA, CH-1015 Lausanne, Switzerland.,Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland,Ecole Polytechnique Federale de Lausanne (EPFL),Swiss Federal Institute of Technology in Lausanne (EPFL)
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- Shin, Seung-Jae (författare)
- Korea Adv Inst Sci & Technol, Dept Chem, Daejeon 34141, South Korea.;Yonsei Univ, Dept Mat Sci & Engn, Seoul 03722, South Korea.,Korea Advanced Institute of Science and Technology, South Korea; Yonsei University, South Korea,Yonsei University,Korea Advanced Institute of Science and Technology (KAIST)
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- Kim, Minho M. (författare)
- Korea Adv Inst Sci & Technol, Dept Chem, Daejeon 34141, South Korea.
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- Kim, Hyungjun (författare)
- Korea Adv Inst Sci & Technol, Dept Chem, Daejeon 34141, South Korea.,Korea Advanced Institute of Science and Technology, South Korea,Korea Advanced Institute of Science and Technology (KAIST)
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- Schwarz, Kathleen (författare)
- Natl Inst Stand & Technol, Gaithersburg, MD USA.,National Institute of Standards and Technology, USA,National Institute of Standards and Technology (NIST)
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- Sundararaman, Ravishankar (författare)
- Rensselaer Polytech Inst, Troy, NY USA.,Rensselaer Polytechnic Institute, USA
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(creator_code:org_t)
- Institute of Physics Publishing (IOPP), 2023
- 2023
- Engelska.
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Ingår i: Journal of Physics. - : Institute of Physics Publishing (IOPP). - 2515-7655. ; 5:4
- Relaterad länk:
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https://doi.org/10.1...
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https://uu.diva-port... (primary) (Raw object)
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https://kau.diva-por... (primary) (Raw object)
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https://research.cha... (primary) (free)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://research.cha...
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Abstract
Ämnesord
Stäng
- New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as empowered by machine learning techniques can help us to understand, control and design electrochemical energy materials at atomistic precision. Therefore, this roadmap, which is a collection of authoritative opinions, serves as a gateway for both the experts and the beginners to have a quick overview of the current status and corresponding challenges in molecular modelling of electrochemical energy materials for batteries, supercapacitors, CO2 reduction reaction, and fuel cell applications.
Ämnesord
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Maskinteknik -- Energiteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Mechanical Engineering -- Energy Engineering (hsv//eng)
Nyckelord
- electrochemical interfaces
- density-functional theory
- molecular dynamics simulation
- electrochemical energy storage
- machine learning
- electrocatalysis
- Kemi med inriktning mot materialkemi
- Chemistry with specialization in Materials Chemistry
- Materials Science
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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Till lärosätets databas
- Av författaren/redakt...
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Zhang, Chao
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Cheng, Jun
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Chen, Yiming
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Chan, Maria K. Y ...
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Cai, Qiong
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Carvalho, Rodrig ...
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visa fler...
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Marchiori, Clebe ...
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Brandell, Daniel ...
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Araujo, C. Moyse ...
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Chen, Ming
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Ji, Xiangyu
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Feng, Guang
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Goloviznina, Kat ...
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Serva, Alessandr ...
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Salanne, Mathieu
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Mandai, Toshihik ...
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Hosaka, Tomooki
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Alhanash, Mirna, ...
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Johansson, Patri ...
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Qiu, Yun-Ze
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Xiao, Hai
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Eikerling, Micha ...
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Jinnouchi, Ryosu ...
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Melander, Marko ...
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Kastlunger, Geor ...
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Bouzid, Assil
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Pasquarello, Alf ...
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Shin, Seung-Jae
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Kim, Minho M.
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Kim, Hyungjun
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Schwarz, Kathlee ...
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Sundararaman, Ra ...
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- Om ämnet
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- NATURVETENSKAP
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NATURVETENSKAP
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och Kemi
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och Materialkemi
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- TEKNIK OCH TEKNOLOGIER
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TEKNIK OCH TEKNO ...
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och Maskinteknik
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och Energiteknik
- Artiklar i publikationen
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Journal of Physi ...
- Av lärosätet
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Uppsala universitet
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Karlstads universitet
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Chalmers tekniska högskola