Grajciar, Lukáš

Zeolite (In)Stability under Aqueous or Steaming Conditions

Heard, C. J., Grajciar, L., Uhlík, F., Shamzhy, M., Opanasenko, M., Čejka, J., & Nachtigall, P. (2020) · Advanced Materials

Zeolite Catalysis and SynthesisMetal-Organic Frameworks: Synthesis and Applications

Cited by 157

Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition

Grajciar, L., Čejka, J., Zukal, A., Otero Areán, C., Turnes Palomino, G., & Nachtigall, P. (2012) · ChemSusChem

Carbon Dioxide Capture TechnologiesZeolite Catalysis and Synthesis

Cited by 112

Accurate large-scale simulations of siliceous zeolites by neural network potentials

Erlebach, A., Nachtigall, P., & Grajciar, L. (2022) · npj Computational Materials

Machine Learning in Materials ScienceZeolite Catalysis and Synthesis

Cited by 58

A reactive neural network framework for water-loaded acidic zeolites

Erlebach, A., Šípka, M., Saha, I., Nachtigall, P., Heard, C. J., & Grajciar, L. (2024) · Nature Communications

Machine Learning in Materials ScienceZeolite Catalysis and Synthesis

Cited by 47

Mechanism of Zeolite Hydrolysis under Basic Conditions

Jin, M., Liu, M., Nachtigall, P., Grajciar, L., & Heard, C. J. (2021) · Chemistry of Materials

Zeolite Catalysis and SynthesisChemical Synthesis and Characterization

Cited by 33

Control of CO 2 adsorption heats by the Al distribution in FER zeolites

Nachtigall, P., Grajciar, L., Pérez-Pariente, J., Pinar, A. B., Zukal, A., & Čejka, J. (2012) · Phys. Chem. Chem. Phys.

Carbon Dioxide Capture TechnologiesZeolite Catalysis and Synthesis

Cited by 30

Constructing Collective Variables Using Invariant Learned Representations

Šípka, M., Erlebach, A., & Grajciar, L. (2023) · Journal of Chemical Theory and Computation

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

Cited by 21

The Role of Water Loading and Germanium Content in Germanosilicate Hydrolysis

Jin, M., Veselý, O., Heard, C. J., Kubů, M., Nachtigall, P., Čejka, J., & Grajciar, L. (2021) · The Journal of Physical Chemistry C

Zeolite Catalysis and SynthesisMetal-Organic Frameworks: Synthesis and Applications

Cited by 21