Reliable crystal structure predictions from first principles R Nikhar, K Szalewicz Nature Communications 13 (1), 3095, 2022 | 42 | 2022 |
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 | 16 | 2024 |
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 | 11 | 2024 |
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 | 4 | 2022 |
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 | 1 | 2024 |
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 |