Ижил төстэй зүйлс

• Elucidating Ion Capture and Transport Mechanisms of Preyssler Anions in Aqueous Solutions Using Biased MACE-Accelerated MD Simulations
  -н: Adewuyi, Quadri O., зэрэг
  Хэвлэсэн: (2025)
• h-CMD: An efficient hybrid fast centroid and quasi-centroid molecular dynamics method for the simulation of vibrational spectra
  -н: Limbu, Dil K., зэрэг
  Хэвлэсэн: (2024)
• Predictive quantum vibrational spectra through active learning 4G-NNPs
  -н: Faruque, Md Omar, зэрэг
  Хэвлэсэн: (2025)
• Fine-tuning Microporosity of Crystalline Vanadomolybdate Frameworks for Selective Adsorptive Separation of Kr from Xe
  -н: Akter, Suchona, зэрэг
  Хэвлэсэн: (2024)
• DL_POLY Quantum 2.1 software: A suite of real-time path integral methods for the simulation of dynamical properties and vibrational spectra
  -н: London, Nathan, зэрэг
  Хэвлэсэн: (2024)