LIST OF PUBLICATIONS

Books

  1. T.A. Beu,
    "Introduction to Numerical Programming: A Practical Guide for Scientists and Engineers Using Python and C/C++",
    (CRC Press / Taylor & Francis, 2014) 640 pp., ISBN 9781466569676
  2. O.-G. Piringer, T.A. Beu,
    "Transport Equations and Their Solutions", in Plastic Packaging: Interactions with Food and Pharmaceuticals, Second Edition,
    Editors O.-G. Piringer and A.L. Baner (Wiley-VCH, Weinheim, New York, 2008) p. 195-246.
  3. T.A. Beu,
    "Transport Equations and Their Solutions", in Plastic Packaging Materials for Food: Barrier Function, Mass Transport, Quality Assurance, and Legislation,
    Editors O.-G. Piringer and A.L. Baner (Wiley-VCH, Weinheim, 2007) p. 221-238.
  4. T.A. Beu,
    "Numerical Calculus in C, Third Edition",
    (MicroInformatica Publishing House, Cluj-Napoca, 2004) 372 pp. (in Romanian).
    ISBN 973-9443-92-3
  5. T.A. Beu,
    "Numerical Calculus in C, Second Edition",
    (MicroInformatica Publishing House, Cluj-Napoca, 2000) 372 pp. (in Romanian).
    ISBN 973-9443-92-3
  6. T.A. Beu,
    "Numerical solutions of the diffusion equation", in Plastic Packaging Materials for Food,
    Editors O.-G. Piringer and A.L. Baner, (Wiley-VCH, Weinheim, New York, 2000) pp. 221-238.
  7. T.A. Beu,
    "Numerical Calculus in C",
    (MicroInformatica Publishing House, Cluj-Napoca, 1999) 372 pp. (in Romanian).
    ISBN 973-9443-33-8
  8. T.A. Beu,
    "Numerical Analysis in Turbo Pascal",
    (MicroInformatica Publishing House, Cluj-Napoca, 1992) 204 pp. (in Romanian).
    ISBN 973-95718-5-9

Papers in refereed journals

  1. T. A. Beu, A. Bende, A.-A. Fracaș,
    "Calculations of electron transfer in the tris[4-(2-thienyl)phenyl]amine–C70 donor-acceptor system",
    Chem. Phys. Lett. 754 (2020) 137654, DOI: 10.1016/j.cplett.2020.137654.
  2. T. A. Beu, A. E. Ailenei, R. I. Costinaș,
    "Martini Force Field for Protonated Polyethyleneimine",
    J. Comput. Chem. 41, 349-361 (2020), DOI: 10.1002/jcc.26110.
  3. A.-A. Fracaș, T. A. Beu, A. Bende,
    "Light-induced spin transitions in Ni(II)-based macrocyclic-ligand complexes: A DFT study",
    J Photochem. & Photobiol. A: Chem. 376, 316-323 (2019), DOI: 10.1016/j.jphotochem.2019.03.027.
  4. T. A. Beu, A. E. Ailenei, A. Farcaş,
    "Atomistic and Coarse-Grained Modeling of Polyethyleneimine",
    Chem. Phys. Lett., 714, 94-98 (2019), DOI: 10.1016/j.cplett.2018.10.071.
  5. T. A. Beu, A. E. Ailenei, A. Farcaş,
    "CHARMM Force Field for Protonated Polyethyleneimine",
    J. Comput. Chem. 39, 2564–2575 (2018), DOI: 10.1002/jcc.25637.
  6. A. Farcaş, T. A. Beu,
    "Complexation of DNA with Cationic Polymers",
    Studia UBB Chemia, LXIII, 2, 165 (2018).
  7. T. A. Beu, A. Farcaş,
    "Structure and Dynamics of Solvated Polyethylenimine Chains",
    AIP Conference Proceedings 1916, 020001 (2017), DOI: 10.1063/1.5017421.
  8. T. A. Beu, A. Farcaş,
    "CHARMM force field and molecular dynamics simulations of protonated polyethylenimine",
    J. Comput. Chem. 38(27), 2335 (2017).
  9. T.A. Beu, A. Farcas,
    "Tight-binding normal mode analysis of suspended single-wall carbon nanotubes",
    EPL 113, 37004 (2016).
  10. L. Horvath, T.A. Beu, M. Manghi, and J. Palmeri,
    "The vapor-liquid interface potential of (multi)polar fluids and its influence on ion solvation",
    J. Chem. Phys. 138, 154702 (2013) DOI: 10.1063/1.4799938
  11. S. Höfinger, A. Acocella, S. C. Pop, T. Narumi, K. Yasuoka, T.A. Beu, and F. Zerbetto,
    "GPU-Accelerated Computation of Electron Transfer",
    J. Comput. Chem. 33, 2351–2356 (2012).
  12. S. C. Pop, T.A. Beu, "Vibrations of polythiophenes",
    Computational and Theoretical Chemistry 995, 66–74 (2012) (J. Mol. Struc.-THEOCHEM).
  13. T.A. Beu,
    "Molecular dynamics simulations of ion transport through carbon nanotubes. III. Influence of the nanotube radius, solute concentration, and applied electric fields on the transport properties",
    J. Chem. Phys. 135, 044516 (2011).
  14. T.A. Beu,
    "Molecular dynamics simulations of ion transport through carbon nanotubes. II. Structural effects of the nanotube radius, solute concentration, and applied electric fields",
    J. Chem. Phys. 135, 044515 (2011).
  15. A. Jurjiu, A. Volta, and T. Beu,
    "Relaxation dynamics of a polymer network modeled by a multihierarchical structure",
    Phys. Rev. E 84, 011801 (2011).
  16. T.A. Beu, A. Jurjiu,
    "Radiation-induced fragmentation of fullerenes",
    Phys. Rev. B 83, 024103 (2011).
  17. T.A. Beu,
    "Simulation of the flow of aqueous solutions through carbon nanotubes",
    Comput. Phys. Commun., 182, 2009 (2011).
  18. T.A. Beu,
    "Molecular dynamics simulations of ion transport through carbon nanotubes I: Influence of geometry, ion specificity and many-body interactions",
    J. Chem. Phys. 132, 164513 (2010).
  19. M. V. Diudea, A. E. Vizitiu, T. Beu, A. Bende, C. L. Nagy, D. Janežic,
    "Circulene covered fullerenes",
    Journal of Molecular Structure: THEOCHEM 904, 28 (2009).
  20. T.A. Beu, L. Horvath, I. Ghişoiu,
    "Tight-binding molecular dynamics simulations of radiation-induced C60 fragmentation",
    Phys. Rev. B 79, 054112 (2009).
  21. T.A. Beu,
    "Simulations of radiation induced fragmentation of C60 fullerenes", Modeling and Simulation of New Materials, Proceedings of Modeling and Simulation of New Materials: Tenth Granada Lectures, AIP Conference Proceedings , Vol. 1091, Editors: Pedro L Garrido,. Pablo I. Hurtado, and Joaquín Marro, 2009, pp. 249-252.
  22. L. Horvath, T.A. Beu,
    "Tight-binding molecular dynamics simulations of radiation-induced fragmentation of C60",
    Phys. Rev. B 77, 075102 (2008).
  23. T.A. Beu, J. Onoe,
    "First-principles calculations of the vibrational spectra of one-dimensional C60 polymers",
    Phys. Rev. B 74, 195426 1-6 (2006).
  24. C. Steinbach, U. Buck, T.A. Beu,
    "Infrared spectroscopy of large ammonia clusters as a function of size",
    J. Chem. Phys. 125, 133403 (2006).
  25. T.A. Beu,
    "Simulations of biological ion channels by molecular dynamics",
    J. Opt. Adv. Mat. 8, 160-163 (2006).
  26. T.A. Beu,
    "Electronic structure calculations of peanut-shaped C-60 polymers",
    J. Opt. Adv. Mat. 8, 177-180 (2006).
  27. T.A. Beu, J. Onoe, A. Hida,
    "First-principles calculations of the electronic structure of one-dimensional C60 polymers",
    Phys. Rev. B 72, 155416 (2005).
  28. C. Steinbach, P. Andersson, J. K. Kazimirski, U. Buck, V. Buch, T.A. Beu,
    "Infrared Predissociation Spectroscopy of Large Water Clusters: A Unique Probe of Cluster Surfaces",
    J. Phys. Chem. A 108, 6165-6174 (2004).
  29. T.A. Beu,
    "MD Simulation of a Biological Ion Channel",
    Bulletin of the Discrete Variational Xα Society of Japan, Vol. 17, No.1, 33-37 (2004).
  30. T.A. Beu,
    "MD Simulations of Biological Ion Channels in Intense Magnetic Fields",
    Studia Universitatis Babes-Bolyai, Physica, XLIX, 91-97, (2004).
  31. T.A. Beu, C. Steinbach, U. Buck,
    "Model analysis of the fragmentation of large H2O and NH3 clusters based on MD simulations",
    Eur. Phys. J. D 27, 223-229 (2003).
  32. T.A. Beu,
    "Fragmentation statistics of large H2O and NH3 clusters from molecular-dynamics simulations",
    Phys. Rev. A 67, 045201 (2003).
  33. T.A. Beu, C. Steinbach, U. Buck,
    "Intermolecular vibrations of large ammonia clusters from helium atom scattering",
    J. Chem. Phys. 117, 3149-3159 (2002).
  34. T.A. Beu, J. Onoe, K. Takeuchi,
    "Structural and vibrational properties of C36 and its oligomers (C36)M=2,3,4 by tight-binding molecular dynamics",
    Eur. Phys. J. D 17, 205-212 (2001).
  35. T.A. Beu, U. Buck,
    "Vibrational spectra of ammonia clusters from n=13 to 18",
    J. Chem. Phys. 114, 7853-7858 (2001).
  36. T.A. Beu, U. Buck,
    "Structure of ammonia clusters from n=13 to 18",
    J. Chem. Phys. 114, 7848-7852 (2001).
  37. T.A. Beu, J. Onoe, K. Takeuchi,
    "Simulation of Raman spectra of C60 and C70 by non-orthogonal tight-binding molecular dynamics",
    Eur. Phys. J. D 10, 391-398 (2000).
  38. T.A. Beu, U. Buck,
    "Evidence for Chiral Isomers in the Spectra of Small Size Selected Hydrazine Clusters",
    Zeitschrift für Physikalische Chemie, 214, 437-447 (2000).
  39. T.A. Beu, Y. Okada, K. Takeuchi,
    "Calculations of structures and vibrational spectra of homogeneous and mixed SF6 clusters with Ar",
    Eur. Phys. J. D 6, 99-108 (1999).
  40. J.G. Siebers, U. Buck, T.A. Beu,
    "Calculations of structures and vibrational spectra of acetonitrile clusters",
    Chem. Phys. 239, 549-560 (1998).
  41. T.A. Beu, J. Onoe, K. Takeuchi,
    "Homogeneous and mixed UF6 clusters with Ar: Calculations of structures and vibrational spectra",
    J. Chem. Phys. 109, 8295-8303 (1998).
  42. T.A. Beu, J. Onoe, K. Takeuchi,
    "Structure and frequency shift calculations for small UF6 clusters",
    J. Mol. Structure 410-411, 295-298 (1997).
  43. T.A. Beu, U. Buck, I. Ettischer, M. Hobein, J.G. Siebers, R. Wheatley,
    "Vibrational predissociation spectra of size selected hydrazine clusters: Experiment and calculations",
    J. Chem. Phys. 106, 6806-6812 (1997).
  44. T.A. Beu, U. Buck, J.G. Siebers, R.J. Wheatley,
    "A new intermolecular potential for hydrazine clusters: Structures and spectra",
    J. Chem. Phys. 106, 6795-6805 (1997).
  45. T.A. Beu, J. Onoe, K. Takeuchi,
    "Calculations of structure and IR-spectrum for small UF6 clusters",
    J. Chem. Phys. 106, 5910-5919 (1997).
  46. T.A. Beu, K. Takeuchi,
    "Structure and IR-spectrum calculations for small SF6 clusters",
    J. Chem. Phys. 103, 6394-6413 (1995).
  47. T.A. Beu, J. Onoe, K. Takeuchi,
    "Intermolecular potential, structure and IR-spectrum calculations for small UF6 clusters",
    RIKEN Review 15, 89-90 (1997).
  48. T.A. Beu, K. Takeuchi,
    "Structures and IR-spectra of small SF6 clusters. II. A new perturbation approach for frequency shifts",
    Laser Science Progress Reports (RIKEN) 17, 110-112 (1995).
  49. T.A. Beu, K. Takeuchi,
    "Structures and IR-spectra of small SF6 clusters. I. Potential model and cluster structures",
    Laser Science Progress Reports (RIKEN) 17, 107-109 (1995).
  50. T.A. Beu,
    "Perturbation approach for frequency shifts in IR spectra of molecular clusters",
    Z. Phys. D  31, 95-104 (1994).
  51. T.A. Beu,
    "Analytical torsion L-tensor formulas for anharmonic force constant transformation",
    Z. Phys. D 27, 263-266 (1993).
  52. T.A. Beu,
    "Fourth order torsion L-tensor formulas for anharmonic force constant transformation",
    Studia Physica 38 (2), 43-52 (1993).
  53. T.A. Beu, P. Mercea, D. Silipas,
    "Gas Transport through Metallized Polymer Membranes",
    Mater. Chem. Phys. 26, 309-322 (1990).
  54. T.A. Beu, P. Mercea, D. Silipas,
    "Theoretical Approach to Gas Transport through Metallized Polymer Membranes",
    Studia Physica 35 (1), 3-13 (1990).
  55. M. Vasiu, T.A. Beu,
    "Magnetohydrodynamic instability of a composite plasma in the presence of Rayleigh-Bénard effect. Dispersion equation",
    Sci. Annals Univ. "Al.I. Cuza", series I.b. Physics, 35, 61-67 (1989).
  56. T.A. Beu, M.Vasiu,
    "Transport in Tokamak Plasmas",
    Studia Physica 34 (2), 94-100 (1989).
  57. M. Vasiu, T.A. Beu,
    "L'équation de dispersion d'un fluide visqueux élastique ionisé, en présence de l'effet Rayleigh-Bennard",
    Studia Physica 33 (2), 53-57 (1988).
  58. T.A. Beu, M. Vasiu,
    "Rotational Excitation of NH3 in Collisions with He",
    Studia Physica 33 (1), 59-65 (1988).
  59. T.A. Beu, D. Simionovici, V. Anghel,
    "GRENADE - a Coarse-mesh Reactor Physics Program to Solve the Static Diffusion Equation for Neutrons",
    Comput. Phys. Commun. 42, 197-216 (1986).
  60. T.A. Beu, M. Vasiu,
    "Impurities Distributions in Tokamak Plasmas",
    Studia Physica 31 (2), 35-40 (1986).
  61. T.A. Beu, F. Spineanu, M. Vlad, R.I. Campeanu, I.I. Popescu,
    "TOPIC - a Tokamak Plasma Impurities Code",
    Comput. Phys. Commun. 36, 161-176 (1985).
  62. T.A. Beu, D. Ciobotaru,
    "Contours of Electron Beams from Shielded and Immersed Guns",
    Rev. Roum. Phys. 29, 289-294 (1984).
  63. T.A. Beu, R.I. Campeanu,
    "Prolate Angular Spheroidal Wave Functions",
    Comput. Phys. Commun. 30, 187-192 (1983).
  64. T.A. Beu, R.I. Campeanu,
    "Prolate Radial Spheroidal Wave Functions",
    Comput. Phys. Commun. 30, 177-185 (1983).
  65. R.I. Campeanu, T.A. Beu,
    "Hydrogen-Antihydrogen Interaction Potential",
    Physics Letters 93A, 223-226 (1983).

International Conferences (oral presentations 2017-2019)

  1. T. A. Beu, A. Farcaş,
    "CHARMM force field and molecular dynamics simulations of polyethylenimine chains",
    4th International Conference on Physical and Theoretical Chemistry, (18-19 September 2017, Dublin, Ireland).
  2. T. A. Beu, A. Farcaş, A. E. Ailenei,
    "Atomistic and Coarse-Grained Modelling of Gene Delivery Polymers",
    12th Joint Conference on Mathematics and Computer Science (12th MaCS), (14-17 June 2018, Săcuieu, Romania).
  3. T. A. Beu, A. Farcaş, A. E. Ailenei,
    "Atomistic and Coarse-Grained Modelling of Polyethylenimine for Gene Delivery Applications", Polymer World Congress 2018 (PWC 2018), (3–6 September 2018, Stockholm, Sweden).
    (invited presentation)
  4. T. A. Beu, A. Farcaş, A. E. Ailenei,
    "Coarse-grained modeling of polyethyleneimine",
    Molecular Modeling in Chemistry and Biochemistry Conference 2018 (MolMod 2018), (28-30 October 2018, Cluj-Napoca, Romania).
  5. T. A. Beu, R. I. Costinaș, A. E. Ailenei,
    "Coarse-grained modeling of DNA-genetic-vector complexes",
    TIM19 Physics Conference, (29-31 May 2019, Timișoara, Romania).
    (plenary lecture)
  6. T. A. Beu,
    "DNA-polycation complexes: coarse-grained modeling and simulations",
    2nd Euro Chemistry Conference, (17-19 June 2019, Valencia, Spain).
    (keynote speech)
  7. T. A. Beu,
    "Coarse-grained simulations of DNA-polyethyleneimine complex formation",
    12th European Conference on Computational and Theoretical Chemistry (EUCO-CTC), (1-5 September 2019, Perugia, Italy).
  8. T. A. Beu,
    "DNA-Polyethyleneimine complex formation: coarse-grain simulations",
    12th International Conference on Processes in Isotopes and Molecules (PIM19), (25-27 September 2019, Cluj-Napoca, Romania).

Textbooks and curriculum material

  1. T.A. Beu,
    "Quantenmechanik I",
    (University "Babeş-Bolyai" Press, Cluj-Napoca, 2000) 134 p. (in German)
    http://www.phys.ubbcluj.ro/~titus.beu/teaching.html  (electronic lecture notes)
  2. T.A. Beu,
    "Numerical Methods for Physicists" (electronic lecture notes)
    http://www.phys.ubbcluj.ro/~titus.beu/teaching.html.
  3. T.A. Beu,
    "Molecular Dynamics Simulations" (electronic lecture notes)
    http://www.phys.ubbcluj.ro/~titus.beu/teaching.html.
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