Publications by Dr A. Bartok-Partay
Jump to: Article
Number of items: 10.
Gillan, MJ and Alfè, D and Bartók, AP and Csányi, G (2013) First-principles energetics of water: a many-body analysis.
Bartok, AP and Gillan, MJ and Manby, FR and Csanyi, G (2013) Machine learning for predictive condensed-phase simulation.
Bartók, AP and Kondor, R and Csányi, G (2012) On representing chemical environments.
Pártay, LB and Bartók, AP and Csányi, G (2012) On the thermodynamics of hard spheres.
Pártay, LB and Bartók, AP and Csányi, G (2010) Efficient sampling of atomic configurational spaces. J Phys Chem B, 114. pp. 10502-10512.
Bartok, AP and Payne, MC and Kondor, R and Csanyi, G (2010) Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons. PHYS REV LETT, 104. -. ISSN 0031-9007
Rozgonyi, T and Bartók-Pártay, A and Stirling, A (2010) Aromaticity on the fly: cyclic transition state stabilization at finite temperature. J Phys Chem A, 114. pp. 1207-1211. ISSN 1089-5639
Jedlovszky, P and Pártay, LB and Bartók, AP and Voloshin, VP and Medvedev, NN and Garberoglio, G and Vallauri, R (2008) Structural and thermodynamic properties of different phases of supercooled liquid water. J Chem Phys, 128. 244503-. ISSN 0021-9606
Jedlovszky, P and Pártay, LB and Bartók, AP and Garberoglio, G and Vallauri, R (2007) Structure of coexisting liquid phases of supercooled water: analogy with ice polymorphs. J Chem Phys, 126. 241103-. ISSN 0021-9606