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1Academic Journal
المؤلفون: Patrick W. V. Butler, Roohollah Hafizi, Graeme M. Day
مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, mostly reliable discrimination, highly automated workflow, crystal packing space, computational costs close, lattice energy minima, developed sampling methods, ab initio methods, mlips ), trained, trial crystal structures, final energy ranking, costly dft calculations, learned interatomic potentials, csp yields potentials, high computational cost, energy structures, learned potentials, methods allow, training mlips, accurately ranking, potential structures, wide range, primary challenge, often used, level solid
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2Academic Journal
المؤلفون: Patrick W. V. Butler, Roohollah Hafizi, Graeme M. Day
مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, mostly reliable discrimination, highly automated workflow, crystal packing space, computational costs close, lattice energy minima, developed sampling methods, ab initio methods, mlips ), trained, trial crystal structures, final energy ranking, costly dft calculations, learned interatomic potentials, csp yields potentials, high computational cost, energy structures, learned potentials, methods allow, training mlips, accurately ranking, potential structures, wide range, primary challenge, often used, level solid