HungMinhLeMD

PubMed

• Ab Initio Investigation of O-H Dissociation from the Al-OH2 Complex Using Molecular Dynamics and Neural Network Fitting.
  Ho TH, Pham-Tran N, Kawazoe Y, Le HM> ;J Phys Chem A. 2016-01-28
• Modified feed-forward neural network structures and combined-function-derivative approximations incorporating exchange symmetry for potential energy surface fitting.
  Nguyen HTT, Le HM> ;J Phys Chem A. 2012-05-10
• Molecular Dynamics Investigations of Ozone on an Ab Initio Potential Energy Surface with the Utilization of Pattern-Recognition Neural Network for Accurate Determinati...
  Le, H.M., Dinh, T.S., Le, H.V.> ;J Phys Chem A. 2011 Oct 13
• Molecular dynamics investigation of the bimolecular reaction BeH + H(2) --> BeH(2) + H on an ab initio potential-energy surface obtained using neural network method...
  Le, H.M., Raff, L.M.> ;J Phys Chem A. 2010-01-14
• Molecular dissociation of hydrogen peroxide (HOOH) on a neural network ab initio potential surface with a new configuration sampling method involving gradient fitting.
  Le, H.M., Huynh, S., Raff, L.M.> ;J Chem Phys. 2009-07-07
• Cis-->trans, trans-->cis isomerizations and N-O bond dissociation of nitrous acid (HONO) on an ab initio potential surface obtained by novelty sampling and feed-...
  Le, H.M., Raff, L.M.> ;J Chem Phys. 2008 May 21
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