Rahul Nikhar

6PUBLICATIONS
65CO-AUTHORS
Computational chemistryBiomolecular modelling and designTheoretical quantum chemistryCrystallography
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Publications (6)

|Oct 10, 2025
A Reliable and Inexpensive Flexible Molecule Crystal Structure Prediction Protocol Based on First Principles.

Rahul Nikhar, Krzysztof Szalewicz

|Dec 02, 2024
Crystal structure predictions for molecules with soft degrees of freedom using intermonomer force fields derived from first principles.

Rahul Nikhar, Rafał Podeszwa, Atta U Rehman

|Oct 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods.

Lily M Hunnisett, Nicholas Francia, Jonas Nyman

|Oct 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods.

Lily M Hunnisett, Jonas Nyman, Nicholas Francia

|Jun 02, 2022
Reliable crystal structure predictions from first principles.

Rahul Nikhar, Krzysztof Szalewicz

|Apr 28, 2022
Factors influencing hydrogen peroxide versus water inclusion in molecular crystals.

Ren A Wiscons, Rahul Nikhar, Krzysztof Szalewicz

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