IIT Publications Search

Stricker F., Sanchez D.M., Raucci U., Dolinski N.D., Zayas M.S., Meisner J., Hawker C.J., Martinez T.J., Read de Alaniz J.
A multi-stage single photochrome system for controlled photoswitching responses
Nature Chemistry, vol. 14, (no. 8), pp. 942-948
Article Journal
Parrinello M.
Breviarium de Motu Simulato Ad Atomos Pertinenti
Israel Journal of Chemistry, vol. 62, (no. 1-2)
Review Journal
Novelli P., Bonati L., Pontil M., Parrinello M.
Characterizing Metastable States with the Help of Machine Learning
Journal of Chemical Theory and Computation, vol. 18, (no. 9), pp. 5195-5202
Article Journal
Debnath J., Parrinello M.
Computing Rates and Understanding Unbinding Mechanisms in Host-Guest Systems
Journal of Chemical Theory and Computation, vol. 18, (no. 3), pp. 1314-1319
Article Journal
Raucci U., Rizzi V., Parrinello M.
Discover, Sample, and Refine: Exploring Chemistry with Enhanced Sampling Techniques
Journal of Physical Chemistry Letters, vol. 13, (no. 6), pp. 1424-1430
Fasulo F., Piccini G., Munoz-Garcia A.B., Pavone M., Parrinello M.
Dynamics of Water Dissociative Adsorption on TiO2Anatase (101) at Monolayer Coverage and below
Journal of Physical Chemistry C, vol. 126, (no. 37), pp. 15752-15758
Article Journal
Raucci U., Sanchez D.M., Martinez T.J., Parrinello M.
Enhanced Sampling Aided Design of Molecular Photoswitches
Journal of the American Chemical Society, vol. 144, (no. 42), pp. 19265-19271
Invernizzi M., Parrinello M.
Exploration vs Convergence Speed in Adaptive-Bias Enhanced Sampling
Journal of Chemical Theory and Computation, vol. 18, (no. 6), pp. 3988-3996
Borrego-Sanchez A., Debnath J., Parrinello M.
Kinetics of Drug Release from Clay Using Enhanced Sampling Methods
Pharmaceutics, vol. 14, (no. 12)
Myung C.W., Hirshberg B., Parrinello M.
Prediction of a Supersolid Phase in High-Pressure Deuterium
Physical Review Letters, vol. 128, (no. 4)
Ray D., Ansari N., Rizzi V., Invernizzi M., Parrinello M.
Rare Event Kinetics from Adaptive Bias Enhanced Sampling
Journal of Chemical Theory and Computation, vol. 18, (no. 11), pp. 6500-6509
Article Journal
Bjelobrk Z., Rajagopalan A.K., Mendels D., Karmakar T., Parrinello M., Mazzotti M.
Solubility of Organic Salts in Solvent-Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach
Journal of Chemical Theory and Computation, vol. 18, (no. 8), pp. 4952-4959
Yang M., Bonati L., Polino D., Parrinello M.
Using metadynamics to build neural network potentials for reactive events: the case of urea decomposition in water
Catalysis Today, vol. 387, pp. 143-149
Article Journal
Ansari N., Rizzi V., Parrinello M.
Water regulates the residence time of Benzamidine in Trypsin
Nature Communications, vol. 13, (no. 1)
Ahlawat P., Hinderhofer A., Alharbi E.A., Lu H., Ummadisingu A., Niu H., Invernizzi M., Zakeeruddin S.M., Dar M.I., Schreiber F., Hagfeldt A., Gratzel M., Rothlisberger U., Parrinello M.
A combined molecular dynamics and experimental study oftwo-step process enabling low-Temperature formation of phase-pure α-FAPbI3
Science advances, vol. 7, (no. 17)

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