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An Imbalance in the Force: The Need for Standardized Benchm..:

Kristian Kříž (6175100) ; Lisa Schmidt (8807669) ; Alfred T. Andersson (8752422)..
https://figshare.com/articles/journal_contribution/An_Imbalance_in_the_Force_The_Need_for_Standardized_Benchmarks_for_Molecular_Simulation/21871324. , 2023

Link: https://doi.org/10.1021/acs.jcim.2c01127.s001

RT Journal
T1 <Title>An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftunivfreestate:oai:figshare.com:article_21871324&Exemplar=1&LAN=DE
				
A1 Kristian Kříž (6175100)
A1 Lisa Schmidt (8807669)
A1 Alfred T. Andersson (8752422)
A1 Marie-Madeleine Walz (1299573)
A1 David van der Spoel (323381)
YR 2023
K1 Biochemistry
K1 Medicine
K1 Evolutionary Biology
K1 Cancer
K1 Biological Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 nonequilibrium interaction energies
K1 currently available tests
K1 models critically depends
K1 different valence states
K1 compounds containing phosphorus
K1 experimental data available
K1 would become easier
K1 benchmark data sets
K1 standardized data sets
K1 different models
K1 data sets
K1 test sets
K1 organic compounds
K1 would adopt
K1 still needed
K1 standardized benchmarks
K1 rigorous testing
K1 relative strengths
K1 rather common
K1 quantum chemistry
K1 predictive model
K1 molecular simulation
K1 molecular properties
K1 large body
K1 including halogens
K1 ff developers
K1 condensed phases
K1 computational chemistry
K1 common ones
K1 common ions
K1 automated fashion
K1 artificial intelligence
JF https://figshare.com/articles/journal_contribution/An_Imbalance_in_the_Force_The_Need_for_Standardized_Benchmarks_for_Molecular_Simulation/21871324
LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.2c01127.s001
DO https://doi.org/10.1021/acs.jcim.2c01127.s001
SF ELIB - SuUB Bremen

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