フォロー
Rahul Nikhar
Rahul Nikhar
Physics graduate student at University of Delaware
確認したメール アドレス: udel.edu
タイトル
引用先
引用先
Reliable crystal structure predictions from first principles
R Nikhar, K Szalewicz
Nature Communications 13 (1), 3095, 2022
422022
The seventh blind test of crystal structure prediction: structure generation methods
LM Hunnisett, J Nyman, N Francia, NS Abraham, CS Adjiman, ...
Structural Science 80 (6), 2024
162024
The seventh blind test of crystal structure prediction: structure ranking methods
LM Hunnisett, N Francia, J Nyman, NS Abraham, S Aitipamula, T Alkhidir, ...
Structural Science 80 (6), 2024
112024
Factors influencing hydrogen peroxide versus water inclusion in molecular crystals
RA Wiscons, R Nikhar, K Szalewicz, AJ Matzger
Physical Chemistry Chemical Physics 24 (18), 11206-11212, 2022
42022
Crystal structure predictions for molecules with soft degrees of freedom using intermonomer force fields derived from first principles
R Nikhar, R Podeszwa, AU Rehman, O Ishaque, A Jing, JW Melkumov, ...
Structural Science 80 (6), 2024
12024
Efficient and reliable crystal structure predictions using first-principles force fields from symmetry-adapted perturbation theory
R Nikhar
American Chemical Society SciMeetings 1 (1), 2020
2020
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論文 1–6