| The XtalOpt evolutionary algorithm for crystal structure prediction Z Falls, P Avery, X Wang, KP Hilleke, E Zurek The Journal of Physical Chemistry C 125 (3), 1601-1620, 2020 | 79 | 2020 |
| Tuning chemical precompression: Theoretical design and crystal chemistry of novel hydrides in the quest for warm and light superconductivity at ambient pressures KP Hilleke, E Zurek Journal of Applied Physics 131 (7), 2022 | 56 | 2022 |
| Conventional High-Temperature Superconductivity in Metallic, Covalently Bonded, Binary-Guest C–B Clathrates N Geng, KP Hilleke, L Zhu, X Wang, TA Strobel, E Zurek Journal of the American Chemical Society 145 (3), 1696-1706, 2023 | 52 | 2023 |
| Structure, stability, and superconductivity of N-doped lutetium hydrides at kbar pressures KP Hilleke, X Wang, D Luo, N Geng, B Wang, F Belli, E Zurek Physical Review B 108 (1), 014511, 2023 | 41 | 2023 |
| Discerning Chemical Pressure amidst Weak Potentials: Vibrational Modes and Dumbbell/Atom Substitution in Intermetallic Aluminides KP Hilleke, DC Fredrickson The Journal of Physical Chemistry A 122 (42), 8412-8426, 2018 | 40 | 2018 |
| Rational design of superconducting metal hydrides via chemical pressure tuning KP Hilleke, E Zurek Angewandte Chemie International Edition 61 (38), e202207589, 2022 | 29 | 2022 |
| Materials under high pressure: a chemical perspective KP Hilleke, T Bi, E Zurek Applied Physics A 128 (5), 441, 2022 | 25 | 2022 |
| Substitution Patterns Understood through Chemical Pressure Analysis: Atom/Dumbbell and Ru/Co Ordering in Derivatives of YCo5 KP Hilleke, RT Fredrickson, AI Vinokur, DC Fredrickson Crystal Growth & Design 17 (4), 1610-1619, 2017 | 20 | 2017 |
| RbB3Si3: An Alkali Metal Borosilicide that is Metastable and Superconducting at 1 atm X Cui, KP Hilleke, X Wang, M Lu, M Zhang, E Zurek, W Li, D Zhang, Y Yan, ... The Journal of Physical Chemistry C 124 (27), 14826-14831, 2020 | 16 | 2020 |
| Dilute carbon in H3S under pressure X Wang, T Bi, KP Hilleke, A Lamichhane, RJ Hemley, E Zurek npj Computational Materials 8 (1), 87, 2022 | 14 | 2022 |
| Principles of weakly ordered domains in intermetallics: the cooperative effects of atomic packing and electronics in Fe2Al5 AI Vinokur, KP Hilleke, DC Fredrickson Acta Crystallographica Section A: Foundations and Advances 75 (2), 297-306, 2019 | 13 | 2019 |
| Structural motifs and bonding in two families of boron structures predicted at megabar pressures KP Hilleke, T Ogitsu, S Zhang, E Zurek Physical Review Materials 5 (5), 053605, 2021 | 11 | 2021 |
| Self-Consistent Chemical Pressure Analysis: Resolving Atomic Packing Effects through the Iterative Partitioning of Space and Energy KM Sanders, JS Van Buskirk, KP Hilleke, DC Fredrickson Journal of Chemical Theory and Computation 19 (13), 4273-4285, 2023 | 8 | 2023 |
| Pressure-Induced Superconductivity in the Wide-Band-Gap Semiconductor Cu2Br2Se6 with a Robust Framework W Cai, W Lin, Y Yan, KP Hilleke, J Coles, JK Bao, J Xu, D Zhang, ... Chemistry of Materials 32 (14), 6237-6246, 2020 | 8 | 2020 |
| Topological electride phase of sodium at high pressures and temperatures B Wang, KP Hilleke, X Wang, DN Polsin, E Zurek Physical Review B 107 (18), 184101, 2023 | 6 | 2023 |
| Structural Plasticity in the Frank‐Kasper Realm: Chemical Pressure Roles of the μ‐ and χ‐Phase Units in the Mo−Fe−Cr System KP Hilleke, KR Kamp, Y Lin, DC Fredrickson Zeitschrift für anorganische und allgemeine Chemie 647 (2-3), 64-74, 2021 | 6 | 2021 |
| Superconductivity in CH4 and BH4− containing compounds derived from the high-pressure superhydrides N Geng, KP Hilleke, F Belli, PK Das, E Zurek Materials Today Physics 44, 101443, 2024 | 5 | 2024 |
| A Little Bit of Carbon Can do a Lot for Superconductivity in HS X Wang, T Bi, KP Hilleke, A Lamichhane, RJ Hemley, E Zurek arXiv preprint arXiv:2109.09898, 2021 | 5 | 2021 |
| Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases B Wang, KP Hilleke, S Hajinazar, G Frapper, E Zurek Journal of Chemical Theory and Computation 19 (21), 7960-7971, 2023 | 4 | 2023 |
| Emergent Transitions: Discord between Electronic and Chemical Pressure Effects in the REAl3 (RE = Sc, Y, Lanthanides) Series A Lim, KP Hilleke, DC Fredrickson Inorganic Chemistry 62 (11), 4405-4416, 2023 | 3 | 2023 |
